Project

MOL2NET Conference series

Goal: MOL2NET: FROM MOLECULES TO NETWORKS (Conference Series) ISSN: 2624-5078, <<<All Year, Free of Cost, Worldwide Workshops>>> MOL2NET, International Conference Series, MDPI SciForum, Basel, Switzerland, 2019, https://sciforum.net/conference/mol2net-05

MOL2NET ORGANIZERS:

This is a multi-center conference series organized and/or supported by professors hired/endowed by University of Minnesota (UMN), Duluth, USA; Miami Dade College (MDC), USA; University of California (UC), Irvine, USA; Virginia Commonwealth University (VCU), USA; Harvard Medical School, USA; North Dakota State University (NDSU); University of Rostock, Germany; and CNAM, CNRS, Université Paris-Sud, France, etc. and launched by IKERBASQUE, Basque Foundation for Science and University of Basque Country (UPV/EHU) (please see full committees lists in our homepage https://mol2net-04.sciforum.net/). Some members or our committee are:

-Prof. Fernando P. Cossío (IKERBASQUE Foundation President), Prof. Dept. of Organic Chemistry I, University of Basque Country (UPV/EHU), Campus Gipuzkoa, Donostia - San Sebastián, Spain.

- Prof. James J. Chou, Dept. of Biological Chemistry & Molecular Pharmacology (BCMP), Harvard Medical School, Boston, MA 02115, USA.

- Prof. Massimo S. Fiandaca, School of Medicine, University of California, Irvine and Co-Director, Translational Laboratory and Biorepository (TLaB), Irvine, CA, USA.

- Prof. Esther Lete, (Coordinator Ph.D. Synth. & Ind. Chemistry) Dept. of Organic Chemistry II, UPV/EHU, Campus Leioa, Bilbao, Spain.

-Prof. David Quesada, Chair Dept. of Mathematics, Miami Dade College (MDC), Wolfson Campus, Miami, FL, USA.

-Prof. Jerzy Leszczynski, Dept. of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity (ICN), Jackson State University (JSU), USA.

- Prof. Jesús Jimenez Barbero, (Ikerbasque Professor), Scientific Director CICBiogune Center, Bilbao, Spain.

- Prof. Françoise Dumas, National Center for Scientific Research (CNRS), Université Paris-Sud, Paris, France.

-Prof. Dr. Allen B. Reitz, Ph.D., Adjunct Prof. Drexel University College of Medicine, Drexel University, Philadelphia, PA, USA. CEO Fox Chase Chemical Diversity Center, Inc., Doylestown, PA, USA.

- Prof. D. Bonchev, Dept. of Mathematics & Applied Mathematics, Virginia Commonwealth University (VCU), USA.

- Dr. Subhash C. Basak, Senior Scientist at Natural Resources Research Institute, Center for Water and the Environment (CWE), Duluth, MN, USA.

- Prof. E. Estrada Roger, Chair in Complexity Sciences, Institute of Complexity Systems, Dept. of Mathematics and Statistics, University of Strathclyde, Glasgow, United Kingdom.

- Prof. Peter Langer, Full Professor (C4) of Organic Chemistry, Vice Director Institute of Chemistry, University of Rostock, Germany.

MOL2NET INFORMATION:

This conference series runs both online (saving registration, publication, and traveling costs) and/or in person with many associate workshops organized in multiple centers worldwide. The conference is devoted to promote international collaboration in science and education. It involves, an online platform hosted in MDPI, Sciforum site. The platform is used to publish communications, proceeding books, and participants comments, published online in general sessions and/or presented in person at associated workshops.

MOL2NET WORKSHOPS:

The conference series have published >20 online and in person (face-to-face participation) workshops performed in universities of USA, Spain, France, Portugal, Brazil, China, Chile, etc. Authors can opt to publish full versions of their papers on associated special issues edited by conference chairpersons in JCR international journals.

MOL2NET TOPICS:

The topics of interest include, but are not limited to, Chemistry (All areas), Mathematics (Applied), Physics (Applied), Materials Science, Nanotechnology, Biology and Life Sciences (All areas), Medicine, Biomedical Engineering, Education, along with Computer Sciences, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Bioinformatics, Systems Biology, and Complex Networks Sciences.

COMMUNICATIONS & PROCEEDINGS PUBLICATION:

Individuals communications are published online with individual doi number in MDPI Sciforum Platform, Basel, Switzerland. Communications are published all the year asap upon acceptance (open access totally free of charge). In addition, at the end of each year we also publish a book of proceedings with all communications of this year and with issn/isbn numbers. See previous books of proceedings:

MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), ISSN: 2624-5078, ISBN: 978-3-03842-820-6, MDPI AG, SciForum, Basel, Switzerland, 2019, Vol. 4, 2985 pp. doi: 10.3390/mol2net-04-06143, Publisher link: https://sciforum.net/paper/view/conference/6143

RG link:
https://www.researchgate.net/publication/330508142_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2019_Vol_4_2985_pp

MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-819-0, ISSN: 2624-5078, 2018, Vol. 3., 679 pp. doi: 10.3390/mol2net-03-05179
Publisher link: https://sciforum.net/paper/view/conference/5179

RG link: https://www.researchgate.net/publication/323943560_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_3_679_pp

MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK) MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-818-3, ISSN: 2624-5078, 2018, Vol. 2., 480 pp. doi: 10.3390/mol2net-02-05133
Publisher link: https://sciforum.net/paper/view/conference/5133

RG link: https://www.researchgate.net/publication/323812044_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_2_480_pp

MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI SciForum, Basel, Switzerland, ISBN: 978-3-03842-817-6, ISSN: 2624-5078 2018, Vol. 1, 761 pp., doi: 10.3390/mol2net-02-05189
Publisher link: https://sciforum.net/paper/view/conference/5189

RGate link: https://www.researchgate.net/publication/324362665_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_1_761_pp

MOL2NET JCR JOURNALS ISSUES:

In parallel to conference, the members of committee organize special issues in several MDPI Editorial Journals (http://www.mdpi.com/). Many special issues have been published or are now open and in call for papers. Submissions are welcome a posteriori, in parallel, or totally independently from the conference. Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website.

Other Professors, members of committee, and authors are also encouraged to edit special issues for different journals of the editorial MDPI. In order to send a proposal of associated workshop and/or special issue contact the chairperson of the conference Prof. González-Díaz H. IIKERBASQUE Prof., University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com. Please, check the following list of past and present special issues associated to our conference. Special Issues list:

Journal: IJMS (Call For Papers)
Special Issue: QSAR and Chemoinformatics Tools for Modeling. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 4.183. Topics: Chemometrics, QSAR/QSPR, Multi-criteria decision making, Molecular descriptors, Software development, Editor: Prof. Roberto Todeschini, University of Milano-Bicocca, Italy. Email: roberto.todeschini@unimib.it

Journal: IJMS (Issue Published)
Special issue entitled: Data Analysis in Molecular Sciences. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 3.257. Topics: Cheminformatics, Computational Chemistry, Bioinformatics, Data Analysis, Proteomics, Biological Networks, Editors: Prof. Humberto González-Díaz, University of the Basque Country UPV/EHU, Biscay, Spain. Prof. Roberto Todeschini, University of Milano-Bicocca, Italy, Prof. Alejandro Pazos Sierra, University of Coruña UDC, Spain, Prof. Sonia Arrasate, University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain.

Journal: Pharmaceutics (Call For Papers)
Special Issue: Nanosystems as Drug Delivery Carrier: From Nature to the Medication. Journal:Pharmaceutics (ISSN 1999-4923), JCR IF = 3.746. Topics: drug delivery systems, cyclodextrin, nanomedicine, active drugs, bioavailability. Editor: Prof. Eduardo Sobarzo-Sanchez. Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl

Journal: Nanomaterials (Issue Published)
Special Issue: Experimental Nanosciences, Computational Chemistry, and Data Analysis. Journal Nanomaterials (ISSN 2079-4991), JCR IF = 3.55. Editors: Prof. Humbert González-Díaz, UPV/EHU, Basque Country, Spain, Prof. Dr. H. Kušić, UZ, Croatia, Prof. B. Rasulev , NDSU, USA, Dr. Shameer Khader, Philips, Cambridge, MA, USA.

Journal: Molecules (Call For Papers)
Special Issue: Recent Advances in Computational Drug Discovery: From In Silico Screening to Multiscale De Novo Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2020-Jan-31. Topics: Multi-Scale De Novo Drug Design, Multi-Scale Models, QSAR-Based Approaches, Chemoinformatics, Bioinformatics, Big Data and Data Mining, Computer-Aided Drug Discovery, and Virtual Screening. Editor: Prof. Alejandro Speck-Planche. Department of Chemistry (Institute of Pharmacy), I.M. Sechenov First Moscow State Medical University, Moscow, Russian Federation. Website 1 | Website 2 | Email: alejspivanovich@gmail.com

Journal: Molecules (Call For Papers)
Special Issue: Natural Products for Neurodegenerative Diseases. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Oct-31. Topics: Medicinal chemistry; Natural products; Photochemistry reactivity; Aporphines, oxoaporphines, and oxoisoaporphines; Coumarins. Editor: Prof. Eduardo Sobarzo-Sanchez. Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl

Journal: Molecules (Call For Papers)
Special Issue: Computational Methods for Drug Discovery and Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.098. Last Date: 2019-Dec-30. Topics: molecular modeling; molecular simulations; computational biochemistry; computer-aided drug design; protein kinase inhibitors. Editor: Prof. Julio Caballero. Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Casilla 747, Talca 3460000, Chile. Email: jcaballero@utalca.cl

Journal: Molecules (Call For Papers)
Special Issue: Structure and Function of Metalloenzymes. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: catalytic power of enzymes; computer-aided drug design; bio-desulfurization; computational methods in chemistry and biochemistry; metalloenzymes; biological membranes; docking and virtual screening; computational enzymatic catalysis. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Sérgio Filipe Sousa, UCIBIO/REQUIMTE, BioSIM - Departamento de BioMedicina, Faculdade de Medicina da Universidade do Porto, Porto, Portugal. Email: sergiofsousa@med.up.pt

Journal: Molecules (Issue Published)
Special Issue: GPCR Mechanism and Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Irina Moreira, Center for Neuroscience and Cell Biology (CNC), University of Coimbra (UC), Portugal. Email: irina.moreira@cnc.uc.pt

Journal: Molecules (Issue Published)
Special Issue: From Computational Chemistry to Complex Networks. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Topics: Quantum Mechanics /Molecular Mechanics (QM/MM), Drug-target, protein-protein and other Docking methods, Monte Carlo (MC) methods, Quantitative Structure-Activity/Property Relationships (QSAR/QSPR) models, Graph theory and Complex Networks Topological Indices (TIs), Protein Structure Networks, Protein Interaction Networks (PINs) and Proteome. Editor: Prof. Humbert González-Díaz, Current Affiliation: IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com.

Journal: Entropy (Call for Papers)
Special Issue: Biological Statistical Mechanics. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Last Date: 2019-Nov-15. Topics: cell differentiation, biocomplexity, order and organization, ecology, epidemics, correlation dynamics, complex networks, systems biology. Editors: Prof. Alessandro Giuliani. Environment and Health Department, Istituto Superiore di Sanità, Roma 00161, Italy. Prof. Mariano Bizzarri, Department of Experimental Medicine, Systems Biology Group Lab, Sapienza University of Rome, Rome, Italy. Email: alessandro.giuliani@iss.it

Journal: Entropy (Issue Published)
Special Issue: Graph and Network Entropies. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Topics: network sciences; walk entropies; algegraic graph theory; spectral methods; matrix functions. Editor: Prof. Ernesto Estrada, Department of Mathematics & Statistics, University of Strathclyde, Glasgow G11XQ, United Kingdom. Current Affiliation: ARAID Professor, Institute of Applied Mathematics (IUMA), University of Zaragoza, Spain, Email: ernesto.estrada@strath.ac.uk

Journal: Applied Sciences (Issue Published)
Special issue entitled: Complex Networks and Machine Learning: From Molecular to Social Sciences. Journal Applied Sciences (ISSN 2076-3417), JCR IF = 2.217. Topics: machine learning, complex networks, systems biology, protein networks, metabolic networks, ecosystems, artificial neural networks, social, financial, and legal networks. Editors: Prof. Maykel Cruz-Monteagudo, Email: mCruz@westcoastuniversity.edu, West Coast University, Miami Campus, FL, USA, Prof. David Quesada, Director of Dept. of Mathematics, Miami Dade Colege (MDC), Miami, FL, USA. Email: dquesada@mdc.edu, Prof. Humbert González-Díaz, IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com

MOL2NET SOCIAL NETWORKS:

Facebook social learning group (>10 000 followers): https://www.facebook.com/groups/chembioinfo.networks/

Youtube channel (welcome videos and workshops talks) in English, Spanish, Frecnh, Portuguese, Chinese (官话), Hindi (हिन्दी), Euskera:
https://www.youtube.com/channel/UCNimPEKkg81sRs91r_yIGNQ/playlists

MOL2NET PREVIOUS EDITIONS:

Please, check out pages of all editions:
Mol2Net-04: http://sciforum.net/conference/mol2net-04
Mol2Net-03: http://sciforum.net/conference/mol2net-03
Mol2Net-02: http://sciforum.net/conference/mol2net-02
Mol2Net-01: http://sciforum.net/conference/mol2net-1

*Note: If you have been tagged as collaborator of this project it could be because: (1) your name have been listed in some of the committees of at least one edition, (2) you have organized workshops, (3) you have guest edited journal issues of this conference. If you want to be tagged as collaborator or have a doubt, contact chairperson in first instance.

Sincerely yours

MOL2NET Chairperson

González-Díaz H., IKERBASQUE Professor, mol2net.chair@gmail.com
(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.

Date: 1 January 2015

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MDPI Journals Issues (Organized by MOL2NET Committee Members)
In parallel, the members of committees and/or authors are encouraged to edit special issues for different journals of the editorial MDPI (http://www.mdpi.com/). The special issue is now in call for papers, submissions are welcome in a posteriori, in parallel, or totally independently from the conference. Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. In order to send a proposal of associated workshop and/or special issue contact the chairperson of the conference Prof.González-Díaz H. IIKERBASQUE Prof., University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com. Please, check the following list of past and present special issues associated to our conference:
Special Issues list
📷IJMS (Call For Papers): Special Issue: QSAR and Chemoinformatics Tools for Modeling. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 4.183. Topics: Chemometrics, QSAR/QSPR, Multi-criteria decision making, Molecular descriptors, Software development, Editor: Prof. Roberto Todeschini , University of Milano-Bicocca, Italy. Email: roberto.todeschini@unimib.it
📷 IJMS (Published): Special issue entitled: Molecular Recognition of Carbohydrates. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 3.257. Topics: Carbohydrates, Molecular recognition, NMR, Drug and Molecular probe design. Editors: Prof. Francisco Javier Cañada, Chemical and Physical Biology, Centro de Investigaciones Biológicas, CIB-CSIC, Ramiro de Maeztu 9, 28040 Madrid, Spain, Website 1 | Website 2 | E-Mail, Prof. Dr. Jesús Jimenez-Barbero, (MOL2NET Honor Comm.), CIC bioGUNE, Bizkaia Technology Park, Building 800, 48160 Derio, Spain; Ikerbasque, Basque Foundation for Science, Maria López de Haro 3, 48013 Bilbao, Spain, Website | E-Mail
📷 IJMS (Published): Special issue entitled: Data Analysis in Molecular Sciences. Journal: International Journal of Molecular Sciences IJMS(ISSN 1422-0067), JCR IF = 3.257. Topics: Cheminformatics, Computational Chemistry, Bioinformatics, Data Analysis, Proteomics, Biological Networks, Editors: Prof. Humberto González-Díaz, University of the Basque Country UPV/EHU, Biscay, Spain. Prof. Roberto Todeschini, University of Milano-Bicocca, Italy, Prof. Alejandro Pazos Sierra, University of Coruña UDC, Spain, Prof. Sonia Arrasate , University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain.
📷Pharmaceutics (Call For Papers): Special Issue: Nanosystems as Drug Delivery Carrier: From Nature to the Medication. Journal:Pharmaceutics (ISSN 1999-4923), JCR IF = 3.746. Topics: drug delivery systems, cyclodextrin, nanomedicine, active drugs, bioavailability. Editor: Prof. Eduardo SOBARZO-SÁNCHEZ . Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl
📷Nanomaterials (Published): Special Issue: Experimental Nanosciences, Computational Chemistry, and Data Analysis. Journal Nanomaterials (ISSN 2079-4991), JCR IF = 3.55. Editors: Prof. Humbert González-Díaz, UPV/EHU, Basque Country, Spain, Prof. Dr. Kušić, UZ, Croatia, Prof. Bakhtiyor Rasulev , North Dakota State University (NDSU), USA, Dr. Shameer Khader , Philips, Cambridge, MA, USA.
📷Molecules (Call For Papers): Special Issue: Cheminformatics, Past, Present, and Future: From Chemistry to Nanotechnology and Complex Systems. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2020-Jul-31. Topics: Chemoinformatics, Multi-label classification, Quantum Mechanics, Molecular Mechanics (QM/MM), Molecular Docking, Big Data, Natural Computing, Quantum Computing, Artificial Neural Networks (ANN), Machine Learning, Data Analysis, Chemical Reactivity, Catalysis, Bioinformatics, Complex Biosystems, Protein Networks, Gene Regulatory Networks, Metabolic Networks, Computational Materials and Nano-sciences, Cheminformatics Regulatory issues, GDPR and Data Protection, OECD/REACH Regulation. Editor: Prof. Humbert González-Díaz, Current Affiliation: IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com.
📷 Molecules (Call For Papers): Special Issue: Recent Advances in Computational Drug Discovery: From In Silico Screening to Multiscale De Novo Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2020-Jan-31. Topics: Multi-Scale De Novo Drug Design, Multi-Scale Models, QSAR-Based Approaches, Chemoinformatics, Bioinformatics, Big Data and Data Mining, Computer-Aided Drug Discovery, and Virtual Screening. Editor: Prof. Alejandro Speck Planche . Department of Chemistry (Institute of Pharmacy), I.M. Sechenov First Moscow State Medical University, Moscow, Russian Federation. Website 1 | Website 2 | Email: alejspivanovich@gmail.com
📷 Molecules (Call For Papers): Special Issue: Natural Products for Neurodegenerative Diseases. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Oct-31. Topics: Medicinal chemistry; Natural products; Photochemistry reactivity; Aporphines, oxoaporphines, and oxoisoaporphines; Coumarins. Editor: Prof. Eduardo SOBARZO-SÁNCHEZ. Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl
📷 Molecules (Call For Papers): Special Issue: Computational Methods for Drug Discovery and Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.098. Last Date: 2019-Dec-30. Topics: molecular modeling; molecular simulations; computational biochemistry; computer-aided drug design; protein kinase inhibitors. Editor: Prof. Julio Caballero . Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Casilla 747, Talca 3460000, Chile. Email: jcaballero@utalca.cl
📷 Molecules (Call For Papers):Special Issue: Structure and Function of Metalloenzymes. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: catalytic power of enzymes; computer-aided drug design; bio-desulfurization; computational methods in chemistry and biochemistry; metalloenzymes; biological membranes; docking and virtual screening; computational enzymatic catalysis. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. @Sergio F. Sousa , UCIBIO/REQUIMTE, BioSIM - Departamento de BioMedicina, Faculdade de Medicina da Universidade do Porto, Porto, Portugal. Email: sergiofsousa@med.up.pt
📷 Molecules (Published): Special Issue: GPCR Mechanism and Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Irina Moreira , Center for Neuroscience and Cell Biology (CNC), University of Coimbra (UC), Portugal. Email: irina.moreira@cnc.uc.pt Molecules (Published):
📷 Special Issue: From Computational Chemistry to Complex Networks. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Topics: Quantum Mechanics /Molecular Mechanics (QM/MM), Drug-target, protein-protein and other Docking methods, Monte Carlo (MC) methods, Quantitative Structure-Activity/Property Relationships (QSAR/QSPR) models, Graph theory and Complex Networks Topological Indices (TIs), Protein Structure Networks, Protein Interaction Networks (PINs) and Proteome. Editor: Prof. Humbert González-Díaz, Current Affiliation: IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com.
📷 Entropy (Call for Papers): Special Issue: Biological Statistical Mechanics. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Last Date: 2019-Nov-15. Topics: cell differentiation, biocomplexity, order and organization, ecology, epidemics, correlation dynamics, complex networks, systems biology. Editors: Prof. Alessandro Giuliani . Environment and Health Department, Istituto Superiore di Sanità, Roma 00161, Italy. Prof. Mariano Bizzarri, Department of Experimental Medicine, Systems Biology Group Lab, Sapienza University of Rome, Rome, Italy. Email: alessandro.giuliani@iss.it
📷 Entropy (Published): Special Issue: Graph and Network Entropies. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Topics: network sciences; walk entropies; algegraic graph theory; spectral methods; matrix functions. Editor: Prof. Ernesto Estrada, Department of Mathematics & Statistics, University of Strathclyde, Glasgow G11XQ, United Kingdom. Current Affiliation: ARAID Professor, Institute of Applied Mathematics (IUMA), University of Zaragoza, Spain, Email: ernesto.estrada@strath.ac.uk
📷 Applied Sciences (Published): Special issue entitled: Complex Networks and Machine Learning: From Molecular to Social Sciences. Journal Applied Sciences (ISSN 2076-3417), JCR IF = 2.217. Topics: machine learning, complex networks, systems biology, protein networks, metabolic networks, ecosystems, artificial neural networks, social, financial, and legal networks. Editors: Prof. Maykel Cruz-Monteagudo , Email: mCruz@westcoastuniversity.edu, West Coast University, Miami Campus, FL, USA, Prof. David Quesada , Director of Dept. of Mathematics, Miami Dade Colege (MDC), Miami, FL, USA. Email: dquesada@mdc.edu, Prof. Terace Fletcher , Miami Dade Colege (MDC), Miami, FL, USA. Prof. Humbert González-Díaz, IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com
 
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NDSUMAT-01 (Early Announcement*): North Dakota State Univ.Materials Science Workshop, Fargo, USA, 2019. Chairman: Prof. Bakhtiyor Rasulev , Honor Chairman: Prof. Jerzy Leszczynski , Committee: Natalia Sizochenko , Chairman Assistant: Dr. Gerardo M. Casanola , https://mol2net-05.sciforum.net/ndsumat-01
*Note: This is an early announcement, changes in title, committee, etc. are expected in due course.
 
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MOL2NET: FROM MOLECULES TO NETWORKS WORKSHOPS <<<Open Access, Free of Charge, All Year, Worldwide Workshops>>>
CALL FOR PAPERS: #USINEWSCI-03, USA-India - Europe Worldwide #Science Workshop Series, Minnesota , United States, 2019. Link: https://sciforum.net/conference/mol2net-05/usinews-03
Chairpersons: Dr. Subhash C Basak , University of Minnesota (UMN), Prof. Humbert Gonzalez-Diaz, UPV/EHU, Ikerbasque - Basque Foundation for Science, Bilbao, Spain. Prof. Ashok K Dubey , #NSIT Netaji Subhas Institute of Technology - NSIT, New Delhi, #India, Prof. Kunal Roy , Jadavpur University, Dr. Shameer Khader , #Northwell Health, NY, USA, Dr. Rajeev K Singla KRM University, India,
 
Humbert González-Díaz
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CALL FOR PAPERS: CHEMINFO-01: Inter-university Chemoinformatics Workshop Series. Universidade Federal da Paraiba (UFPB) , Joao Pessoa, Brazil and University of North Carolina at Chape Hill (UNC Chape Hill) , Chape Hill, NC, USA. Link: https://mol2net-05.sciforum.net/cheminfo-01
Topics: Chemoinformatics, Computational Chemistry, Bioinformatics, Systems Biology, Data Analysis, Machine Learning, and Medicinal Chemistry, Natural Products, Toxicology, Drug Discovery, Vaccine Design, Nanotechnology, etc.
Chairmans:
Assoc. Prof. Eugene Muratov , Ph.D., Email: murik@email.unc.edu Laboratory for Molecular Modeling, UNC Eshelman School of Pharmacy, University of North Carolina , Chapel Hill , North Carolina 27599 , United States.,
Prof. Marcus T Scotti , Email: mscotti@ccae.ufpb.br (Coordenador Docente), Dept. de Química, Centro de Ciências Exatas e da Natureza, Universidade Federal da Paraíba - Campus I, Cidade Universitária, CEP: 58.051-900 João Pessoa - Paraíba - Brasil
Prof. González-Díaz H., IKERBASQUE Professor, Email: mol2net.chair@gmail.com (1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
 
Humbert González-Díaz
added an update
International Conference Series on Multidisciplinary Sciences, ISSN: 2624-5078, 2019, Basel, Switzerland. Headquarters: UPV/EHU & Ikerbasque - Basque Foundation for Science, Bilbao, Spain, Homepage: https://mol2net-05.sciforum.net/.
Dear friends, colleagues, committee members, please, select your favorite options in the following poll or suggest new ones to be included in our conference, also share this poll in your wall. Poll link: https://www.facebook.com/groups/chembioinfo.networks/permalink/10155610728726196/
Estimados amigos, por favor, seleccionen sus opciones favoritas en la siguiente encuesta o sugieran nuevos temas para incluirlos en nuestra conferencia, también compartanlo. Enlace: https://www.facebook.com/groups/chembioinfo.networks/permalink/10155610728726196/
 
Humbert González-Díaz
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MOL2NET: FROM MOLECULES TO NETWORKS WORKSHOPS: CALL FOR PAPERS (Online, Year Round, Open Access, Free of Cost): #LAWSCI-03: #PANELFIT #H2020 Project Challenges in #Law,#Technology, #Life, and #Social #Sciences, UPV/EHU, Bilbao, Spain, 2019, https://mol2net-05.sciforum.net/lawsci-03
 
Humbert González-Díaz
added an update
MOL2NET: FROM MOLECULES TO NETWORKS WORKSHOPS CALL FOR PAPERS (Online, Open Access, Free of Cost): SRI-11: The 11th Summer Research Symposium, Miami Dade College (MDC), Miami, Florida, #USA, 2019. Chairperson: Prof. David Quesada , Director Dept. of #Mathematics, Miami Dade College , Advisory Chairperson: Prof. Humbert Gonzalez-Diaz UPV/EHU, Ikerbasque - Basque Foundation for Science, Bilbao, Spain, https://mol2net-05.sciforum.net/sri-11
 
Humbert González-Díaz
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MOL2NET: FROM MOLECULES TO NETWORKS (>10K followers)
Call For Papers: MOL2NET, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, 2019, (Online Participation Free of Cost), homepage: https://mol2net-05.sciforum.net/ Organizers: UPV/EHU, Ikerbasque - Basque Foundation for Science, University of Minnesota, Miami Dade College, West Coast University (USA), Conservatoire national des arts et métiers (France), etc. Topics: Science (All), Chemistry, Physics, Biology, Medicine, Bioinformatics, Nanotechnology, Networks, Computational, and Social sciences, Machine Learning, Data Analysis, etc. Series: https://bit.do/mol2net_series. Committee Members: Subhash C Basak , Danail Bonchev , Esther Lete , Fernando P Cossío , Jerzy Leszczynski , James J Chou , Massimo S Fiandaca , James Robert Green , Bakhtiyor Rasulev , Françoise Dumas , Maité Sylla , David Quesada , Alejandro Pazos , etc. Social Networks (>10K Followers):
 
Danail Bonchev
added 2 research items
Background: Identification of genes that modulate longevity is a major focus of aging-related research and an area of intense public interest. In addition to facilitating an improved understanding of the basic mechanisms of aging, such genes represent potential targets for therapeutic intervention in multiple age-associated diseases, including cancer, heart disease, diabetes, and neurodegenerative disorders. To date, however, targeted efforts at identifying longevity-associated genes have been limited by a lack of predictive power, and useful algorithms for candidate gene-identification have also been lacking. Methodology/principal findings: We have utilized a shortest-path network analysis to identify novel genes that modulate longevity in Saccharomyces cerevisiae. Based on a set of previously reported genes associated with increased life span, we applied a shortest-path network algorithm to a pre-existing protein-protein interaction dataset in order to construct a shortest-path longevity network. To validate this network, the replicative aging potential of 88 single-gene deletion strains corresponding to predicted components of the shortest-path longevity network was determined. Here we report that the single-gene deletion strains identified by our shortest-path longevity analysis are significantly enriched for mutations conferring either increased or decreased replicative life span, relative to a randomly selected set of 564 single-gene deletion strains or to the current data set available for the entire haploid deletion collection. Further, we report the identification of previously unknown longevity genes, several of which function in a conserved longevity pathway believed to mediate life span extension in response to dietary restriction. Conclusions/significance: This work demonstrates that shortest-path network analysis is a useful approach toward identifying genetic determinants of longevity and represents the first application of network analysis of aging to be extensively validated in a biological system. The novel longevity genes identified in this study are likely to yield further insight into the molecular mechanisms of aging and age-associated disease.
Feed-forward motifs are important functional modules in biological and other complex networks. The functionality of feed-forward motifs and other network motifs is largely dictated by the connectivity of the individual network components. While studies on the dynamics of motifs and networks are usually devoted to the temporal or spatial description of processes, this study focuses on the relationship between the specific architecture and the overall rate of the processes of the feed-forward family of motifs, including double and triple feed-forward loops. The search for the most efficient network architecture could be of particular interest for regulatory or signaling pathways in biology, as well as in computational and communication systems. Feed-forward motif dynamics were studied using cellular automata and compared with differential equation modeling. The number of cellular automata iterations needed for a 100% conversion of a substrate into a target product was used as an inverse measure of the transformation rate. Several basic topological patterns were identified that order the specific feed-forward constructions according to the rate of dynamics they enable. At the same number of network nodes and constant other parameters, the bi-parallel and tri-parallel motifs provide higher network efficacy than single feed-forward motifs. Additionally, a topological property of isodynamicity was identified for feed-forward motifs where different network architectures resulted in the same overall rate of the target production. It was shown for classes of structural motifs with feed-forward architecture that network topology affects the overall rate of a process in a quantitatively predictable manner. These fundamental results can be used as a basis for simulating larger networks as combinations of smaller network modules with implications on studying synthetic gene circuits, small regulatory systems, and eventually dynamic whole-cell models.
Danail Bonchev
added 2 research items
Microarray technology allows for high throughput gene expression studies. However, because of the large amounts of data produced, additional work is required to put the data into biological context. An emerging approach to provide such context is pathway and network analysis. The objective of this work was to design and implement such pathway analysis strategies. Our strategy identifies enriched biological pathways when given a list of genes found to be differentially expressed in a microarray experiment. Once enriched pathways are identified, our strategy generates scores to identify how significant and functional the identified pathways are. These scores include statistical significance and unique graph theory scores such as pathway port connectedness, adjacency ratio, and completeness. Enzyme-centric scores are also generated to quantify the importance of each enzyme-coding gene in the pathway it participates in. Pathways in other organisms are inferred based on homology and several methods of visualizing the pathways are also provided. This approach can also be extended to proteomic data, or comparative genomic data to assess the relevance of a pathway or network in an organism or group of organisms.
Macromolecular mechanisms of the cell are shaped by evolutionary pro-cesses, and so are biological networks. These networks, sum of all the interactions between cellular components, are used as a convenient repre-sentation of the cell's internal organization. From the structure of these networks one can derive general principles of this organization. What is missing, however, is the precise knowledge of how this organization is linked to the phylogeny of species. We present here examples of our work to characterize this link. In the first part we introduce an intuitive and robust description of the metabolic capabilities of species, termed net-work of interacting pathways or NIP. In the second part, we show that NIPs capture sufficient information about the underlying evolutionary events leading to the formation of metabolic networks to permit accurate prediction of the phylogenetic position of species.
Humbert González-Díaz
added an update
PANELFIT-LAWSCI-02: #H2020 Challenges in #Law, #Technology, #Life, and #Social #Sciences, UPV/EHU, Bilbao, Spain, 2018, Chairpersons: Prof. Carlos Romeo Casabona (UPV/EHU), Prof. Inigo DE MIGUEL BERIAIN (#Ikerbasque - Basque Foundation for Science), Dr. Aliuska Duardo (UPV/EHU), ResearchGate project: https://www.researchgate.net/project/PANELFIT-H2020-EU-Project,
 
Humbert González-Díaz
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Conference: Proceedings of the conference MOL2NET International Conference on Multidisciplinary Sciences (4th edition), 2018 is part of a year-round worldwide conference series hosted by MDPI Sciforum, Basel, Switzerland. This conference series has had organized more than 20 associated workshop series in universities worldwide: USA, France, Portugal, Spain, China, Chile, Brazil, India, etc. These workshop series run in person and/or online. Some of these workshops are the SRI-10 St Thomas University (STU)- Miami Dade College (MDC), Miami, USA; USINEWS-02 University of Minnesota, USA; BIOCHEMPHYS-01 CNAM, Paris, France; WCUCW, West Coast University, Miami, USA; IWMEDIC UDC, Coruña, Spain, LAWSCI-02, UPV/EHU, Bilbao, Spain, etc. Workshops allow both in person and/or online only publication of papers, research highlights of previous papers, letters, short reviews, etc. Topics: The topics are multidisciplinary covering, but not limited to, Chemistry (All areas), Physics, Biology, Ecology, Statistics, Bioinformatics, Education, Nanotechnology, Materials, Computational, Complex Networks, Legal, and Social sciences, etc. Statistics: This edition hosted >10 workshops that attracted >300 communications submitted by >700 authors. We organized 7 special issues published in JCR journals (MDPI editorial) such as Molecules, Entropy, and Appl. Sci. We also organized 3 bootcamps, hand-training, or capstone courses in MDC, Miami, WCU Miami, and UPV/EHU Bilbao. The present book of proceedings have released in two versions; one with 94 pages (short version without communications) and other with 2985 pages (long version including all communications and abstracts). Thank you very much to all colleagues for your kind support.
Humbert González-Díaz
added an update
Abstract:
Conference: Proceedings of the conference MOL2NET International Conference on Multidisciplinary Sciences (4th edition), 2018 is part of a year-round worldwide conference series hosted by MDPI Sciforum, Basel, Switzerland. This conference series has had organized more than 20 associated workshop series in universities worldwide: USA, France, Portugal, Spain, China, Chile, Brazil, India, etc. These workshop series run in person and/or online. Some of these workshops are the SRI-10 St Thomas University (STU)- Miami Dade College (MDC), Miami, USA; USINEWS-02 University of Minnesota, USA; BIOCHEMPHYS-01 CNAM, Paris, France; WCUCW, West Coast University, Miami, USA; IWMEDIC UDC, Coruña, Spain, LAWSCI-02, UPV/EHU, Bilbao, Spain, etc. Workshops allow both in person and/or online only publication of papers, research highlights of previous papers, letters, short reviews, etc. Topics: The topics are multidisciplinary covering, but not limited to, Chemistry (All areas), Physics, Biology, Ecology, Statistics, Bioinformatics, Education, Nanotechnology, Materials, Computational, Complex Networks, Legal, and Social sciences, etc. Statistics: This edition hosted >10 workshops that attracted >300 communications submitted by >700 authors. We organized 7 special issues published in JCR journals (MDPI editorial) such as Molecules, Entropy, and Appl. Sci. We also organized 3 bootcamps, hand-training, or capstone courses in MDC, Miami, WCU Miami, and UPV/EHU Bilbao. The present book of proceedings have released in two versions; one with 94 pages (short version without communications) and other with 2985 pages (long version including all communications and abstracts). Thank you very much to all colleagues for your kind support.
Reference: MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), ISSN: 2624-5078, ISBN: 978-3-03842-820-6, MDPI AG, SciForum, Basel, Switzerland, 2019, Vol. 4, 2985 pp. doi: 10.3390/mol2net-04-06143, link: https://sciforum.net/paper/view/conference/6143
 
Danail Bonchev
added 2 research items
Although metabolic reactions are unquestionably shaped by evolutionary processes, the degree to which the overall structure and complexity of their interconnections are linked to the phylogeny of species has not been evaluated in depth. Here, we apply an original metabolome representation, termed Network of Interacting Pathways or NIP, with a combination of graph theoretical and machine learning strategies, to address this question. NIPs compress the information of the metabolic network exhibited by a species into much smaller networks of overlapping metabolic pathways, where nodes are pathways and links are the metabolites they exchange. Our analysis shows that a small set of descriptors of the structure and complexity of the NIPs combined into regression models reproduce very accurately reference phylogenetic distances derived from 16S rRNA sequences (10-fold cross-validation correlation coefficient higher than 0.9). Our method also showed better scores than previous work on metabolism-based phylogenetic reconstructions, as assessed by branch distances score, topological similarity and second cousins score. Thus, our metabolome representation as network of overlapping metabolic pathways captures sufficient information about the underlying evolutionary events leading to the formation of metabolic networks and species phylogeny. It is important to note that precise knowledge of all of the reactions in these pathways is not required for these reconstructions. These observations underscore the potential for the use of abstract, modular representations of metabolic reactions as tools in studying the evolution of species. Supplementary data are available at Bioinformatics online.
The complex interactions that characterize acute wound healing have stymied the development of effective therapeutic modalities. The use of computational models holds the promise to improve our basic approach to understanding the process. By modifying an existing ordinary differential equation model of systemic inflammation to simulate local wound healing, we expect to improve the understanding of the underlying complexities of wound healing and thus allow for the development of novel, targeted therapeutic strategies. The modifications in this local acute wound healing model include: evolution from a systemic model to a local model, the incorporation of fibroblast activity, and the effects of tissue oxygenation. Using these modifications we are able to simulate impaired wound healing in hypoxic wounds with varying levels of contamination. Possible therapeutic targets, such as fibroblast death rate and rate of fibroblast recruitment, have been identified by computational analysis. This model is a step toward constructing an integrative systems biology model of human wound healing.
Humbert González-Díaz
added a project reference
Humbert González-Díaz
added an update
MOL2NET04, LAST CALL, SUMMARY, & MERRY CHRISTMAS!!!
Glad to extend submissions until 2019-Jan-05 due to high success of this edition with
>10 workshops (in person and/or online) in USA, Spain, France, Portugal, Brazil, etc.;
>800 authors of submissions; >200 communications published this year; and 5 Special Issues in MDPI JCR indexed journals https://mol2net-04.sciforum.net/, mol2net.chair@gmail.com
MERRY CHRISTMAS, FELIZ NAVIDAD, JOYEUX NÖEL, BO NADAL!!!
MOL2NET Chairman, Humbert Gonzalez-Diaz, Ikerbasque Professor,
(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.
 
Humbert González-Díaz
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MOL2NET HANDS-ON TRAINING: CHEMINFO., MACHINE LEARNING, COMPLEX NETWORKS,
(Year-round Open Call for Applications)
Type of Course: Research Internship Training Courses for Sabbatical Professors, Post-Doc Associates, or PhD, MSc, or Degree Students (Summer internships) coming from aborad or for our university. Sponsor Agencies: ERC, CONACYT, FCE, UNAM, DELFIN Program, Hosts: UPV/EHU, Ikerbasque - Basque Foundation for Science Lecturers: Prof. Sonia Arrasate Gil and Prof. Humbert Gonzalez-Diaz (mol2net.chair@gmail.com)
Benefits for Students:
(0) Hands-on Training in Machine Learning, Data Analysis, Cheminformatics, Complex Networks, and Statistics.
(1) Personalized Project to study Experimental Results of Student Thesis and/or Public Data sets.
(2) Papers in JCR-Indexed Journals, projects results are submitted to publication.
(3) Publication of communications in MOL2NET Workshops in Miami Dade College, West Coast Univ., Univ. of Minnesota (USA), CNAM (France), etc.
(4) Exploration of possible MSc/PhD topics for MSc/Degree Students.
Student Profile: Physics (Applied), Chemistry (All areas), Biology, Medicine, Biotechnology, Bioinformatics, Nanosciences, Biomedical Engineering, Computational Sciences, etc.
*Course Duration: Sabbatical Profs., Post-Doc, and PhD Students (upto 1 Year), MSc Students (upto 2 months), Degree of Students (upto 4 months): , Delfin Program Students: Jun-15 to Jul-30. *For students coming from abroad.
Course seats: 15 Students, Nationality: Worldwide,
Attendance Certificate: Mol2Net Conference Training Attendance Cert.., ZTF-FCT Faculty Research Stay Cert. , UPV/EHU Dept. Org. Chem. Research Stay Attendance Cert. Letter, CONACYT Internship Certificate (Delfin program students),
Place: University of the Basque Country, UPV/EHU, Dept. Org. Chem. II., Leioa (Great Bilbao), Biscay, Spain.
Enrollment & Fees: Free of cost (no enrollment fees will be levied to students), however scholarship or other funds must cover travel, living, and insurance.
*Contact: Prof. Humbert Gonzalez-Diaz (mol2net.chair@gmail.com).
 
Humbert González-Díaz
added an update
CALL FOR PAPERS (Free of Cost), USINEWS-02, UMN, MinnesotaUSA, 2018: USINEWS-02, USA-IN-EU Worldwide Science Workshop Series, University of Minnesota (UMN), USA, 2018. Meet researchers from India and their colleagues at USA, Europe, India, and other countries. Committee: Dr. Subhash C Basak (Honor Chairman), UMN, USA, Prof. Ashok K Dubey , NSIT, India, Prof. Kunal Roy , Jadavpur University, Dr. Shameer Khader , Ph.D, Northwell Health, NY, USA, Prof. Rajeev K Singla , KRMU, India, Prof. Nitin Sapre , SGSITS, India, (Advisory Chairman): Prof. Humbert Gonzalez-Diaz, UPV/EHU, Spain. Topics: #Chemistry (All), #Applied_Physics, #Nanotechnology, #Omics, #Bioinformatics, #Data_Analysis, #Complex_Networks, #Machine_Learning, etc. https://mol2net-04.sciforum.net/usinews-02
 
Humbert González-Díaz
added an update
Molecules (Call For Papers): Special Issue: GPCR Mechanism and Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.098. Editor: Dr. Irina Moreira, Email: irina.moreira@cnc.uc.pt, Center for Neuroscience and Cell Biology (CNC), University of Coimbra (UC), MOL2NET Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. https://mol2net-04.sciforum.net/ejibce-02 Issue Link: https://www.mdpi.com/journal/molecules/special_issues/gpcr_mechanism Portugal. Topics: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions.
 
Humbert González-Díaz
added an update
We are pleased to announce that a Special Issue of the Journal Molecules, entitled “Structure and Function of Metalloenzymes” and edited by Dr. Sergio F. Sousa (BioSIM, FMUP), is now open to contributions, link: http://bit.ly/2SgFeM7. Molecules (MDPI) is an official partner of EJIBCE Workshop, Chairperson Dr. Irina Moreira, link: https://mol2net-04.sciforum.net/ejibce
 
Humbert González-Díaz
added an update
MOL2NET-04, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, ISBN: 978-3-03842-820-6, MDPI SciForum, Basel, Switzerland, 2018. LinkedIn page: https://www.linkedin.com/company/mol2net/
 
Humbert González-Díaz
added 2 research items
There are many parasite species with very different antiparasite drugs susceptibility. Computational methods in biology and chemistry prediction of the biological activity based on Quantitative Structure-Activity Relationships (QSAR) susbtantialy increases the potentialities of this kind of networks avoiding time and resources consming experiments. Unfortunately, almost QSAR models are unspecific or predict activity against only one species. To solve this problem we developed here a multi-species QSAR classification model (ms-QSAR). In so doing, we use Markov Chains theory to calculate new multi-target spectral moments to fit a QSAR model that predict by the first time a ms-QSAR model for 500 drugs tested in the literature against 16 parasite species and other 207 drugs no tested in the literature using entropy type indices. The data was processed by Artificial Neural Network (ANN) classifying drugs as active or non-active against the different tested parasite species. The best ANN found was MLP 23:23-18-1:1. Overall model classification accuracy was 85.65% (211/244 cases) in training. Validation of the model was carried out by means of external predicting series. In this serie, the model classified correctly 81.85% (275/357 cases).
Massimo S Fiandaca
added 11 research items
The etiologic basis for sporadic forms of neurodegenerative diseases has been elusive but likely represents the product of genetic predisposition and various environmental factors. Specific gene-environment interactions have become more salient owing, in part, to the elucidation of epigenetic mechanisms and their impact on health and disease. The linkage between traumatic brain injury (TBI) and Parkinson's disease (PD) is one such association that currently lacks a mechanistic basis. Herein, we present preliminary blood-based metabolomic evidence in support of potential association between TBI and PD. Using untargeted and targeted high-performance liquid chromatography-mass spectrometry we identified metabolomic biomarker profiles in a cohort of symptomatic mild TBI (mTBI) subjects (n = 75) 3-12 months following injury (subacute) and TBI controls (n = 20), and a PD cohort with known PD (n = 20) or PD dementia (PDD) (n = 20) and PD controls (n = 20). Surprisingly, blood glutamic acid levels in both the subacute mTBI (increased) and PD/PDD (decreased) groups were notably altered from control levels. The observed changes in blood glutamic acid levels in mTBI and PD/PDD are discussed in relation to other metabolite profiling studies. Should our preliminary results be replicated in comparable metabolomic investigations of TBI and PD cohorts, they may contribute to an "excitotoxic" linkage between TBI and PD/PDD.
Liposomes have long been effective delivery vehicles for transport of toxins to peripheral cancers. The combination of convection-enhanced delivery (CED) with liposomal toxins was originally proposed to circumvent the limited delivery of intravascular liposomes to the central nervous system (CNS) due to the blood-brain-barrier (BBB). CED offers markedly improved distribution of infused therapeutics within the CNS compared to direct injection or via drug eluting polymers, both of which depend on diffusion for parenchymal distribution. This review examines the basis for improved delivery of liposomal toxins via CED within the CNS, and discusses preclinical and clinical experience with these therapeutic techniques. How CED and liposomal technologies may influence future neurooncologic treatments are also considered.
Humbert González-Díaz
added an update
ACS Comb. Sci., a journal of the American Chemical Society (ACS), published a cover of our paper early drafted in MOL2NET conference as short comm.!!!
Journal Issue: ACS Comb. Sci, Volume 20, Issue 11, November 12, 2018, Pages 595-680, issue link: https://pubs.acs.org/toc/acsccc/20/11.
Article: Harbil Bediaga , Sonia Arrasate , and Humbert Gonzalez-Diaz, PTML Combinatorial Model of ChEMBL Compounds Assays for Multiple Types of Cancer. ACS Comb. Sci, 2018, 20(11), 621. link: https://pubs.acs.org/doi/10.1021/acscombsci.8b00090.
About the Cover: Artistic representation of the Bünkmister Fullerene statue placed at the lobby of the Faculty of Sciences and Technology, University of The Basque Country (UPV/EHU), Leioa (Great Bilbao), Campus Biscay. The statue is placed just in front of a huge banner with the motto of the university written in Euskera: Eman ta zabal zazu (Give and extend knowledge).
Acknowledgements: Thank you to EIC Prof. M.G. Finn for his kind invitation and all co-authors for their work. We also thanks the support of Ikerbasque - Basque Foundation for Science, Thank You = Gracias = Eskerrik asko!!!
 
Humbert González-Díaz
added a research item
MOL2NET is an international conference to promote interdisciplinary synergies in science. The confrence is totally online. The conference is being hosted by the site SciForum; a platform of the editorial MDPI, Basel, Switzerland. The main emphasis is to promote collaborations between Experimental Molecular and Biomedical Sciences with Computer, Data, and Network Science experts. We invite you to send short communications (1-3 pages) or research papers (not page limits). You can send papers with: (1) experimental research only, (2) theoretical papers, (3) papers combining experimental and theoretical methods, (4) papers discussing legal aspects of interdisciplinary research. Please use the present .doc file as template to send papers to our conference. Registration and Publications is totally free, the submission of paper is online using the following link: http://sciforum.net/user/submission_for_conference/83
Humbert González-Díaz
added an update
Call For Papers: MOL2NET, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, 2018, (Online Participation Free of Cost), homepage: https://mol2net-04.sciforum.net/
Organizers: UPV/EHU, Ikerbasque - Basque Foundation for Science, University of Minnesota, Miami Dade College, West Coast University (USA), Conservatoire national des arts et métiers (France), etc.
Topics: Science (All), Chemistry, Physics, Biology, Medicine, Bioinformatics, Nanotechnology, Networks, Computational, and Social sciences, Machine Learning, Data Analysis, etc. Series: https://bit.do/mol2net_series.
Social Networks (>10K Followers):
Last edition: >480 authors, >170 papers, and >10 workshops in: USA, Spain, Portugal, Brazil, etc. Procc. Book, ISBN:978-3-03842-819-0, MDPI Sciforum, Switzerland, 2018, Vol.3, 679 pp, doi:10.3390/mol2net-02-05133, link: http://bit.do/mol2net-03-proceedings.
Thank you!!!
Chairperson:
Prof. Humbert Gonzalez-Diaz, Email: mol2net.chair@gmail.com,
 
Humbert González-Díaz
added an update
Call For Papers (Free of Cost): SRI-10 Summer Research Institute, St. Thomas University (STU) - Miami Dade College (MDC), Miami, FL, USA, 2018. Topics: Mathematics, Physics, Chemistry, Data Analysis, Nanotechnology, Machine Learning, Bioinformatics, etc. Chairpersons: Prof. David Quesada , Prof. H. Gonzalez-Díaz , UPV/EHU, Ikerbasque , https://mol2net-04.sciforum.net/sri-10
 
Humbert González-Díaz
added an update
MOL2NET-NANOMATERIALS SPECIAL ISSUE (Published), Journal: Nanomaterials (ISSN 2079-4991). Special issue entitled: Experimental Nanosciences, Computational Chemistry, and Data Analysis. Journal Nanomaterials (ISSN 2079-4991), JCR IF = 3.55. Editors: Prof. González-Díaz H, UPV/EHU, Spain, Prof. B. Bakhtiyor Rasulev , NDSU, USA, Dr. Shameer Khader , Cambridge, MA, USA, Prof. H. Kušić , UZ, Croatia. http://www.mdpi.com/journal/nanomaterials/special_issues/Experimental_nanosciences
 
Humbert González-Díaz
added an update
WCUCW-02: West Coast University Capstone Workshop, WCU, Miami, USA, 2018. https://sciforum.net/conference/mol2net-04/wcucw-02
(Submit abstract: https://sciforum.net/login)
Committee:
Prof. Melissa Cueto, Email: meCueto@westcoastuniversity.edu MAInstructor II, West Coast University, Miami, FL, USA Adjunct Prof., University of Miami, Coral Gables, FL, USA.
Prof.  Maykel Cruz-Monteagudo , Email: mCruz@westcoastuniversity.edu Associate Professor, West Coast University, Miami Campus, FL, USA.
Prof. Lazaro Pino Rivero, PhD, Assoc. Prof., West Coast University (WCU), Miami, FL, USA. 
Adjunct Professor, Miami Dade College (MDC), Miami, FL, USA.
Prof. Terace Fletcher, PhD, MS, Email: teFletcher@westcoastuniversity.edu Academic Dean and Professor, West Coast University, Miami Campus, FL, USA.
 
Humbert González-Díaz
added an update
Meeting of Young Researchers in Structural Computational Biology (Submit abstract: https://sciforum.net/login), University of Porto, Portugal, 2018.
Chairpersons:
Dr. Irina Moreira , E-mail: irina.moreira@cnc.uc.pt , Center for Neuroscience and Cell Biology (CNC) Universidade de Coimbra, Coimbra, Portugal;
Dr. Sérgio F. Sousa, UCIBIO/REQUIMTE, BioSIM - Departamento de BioMedicina, Universidade do Porto, Portugal.
Dr. Nuno S Cerqueira, Email: nscerque@fc.up.pt, UCIBIO/REQUIMTE, BioSIM - Departamento de BioMedicina, Universidade do Porto, Portugal.
Advisory Chairperson: Prof. Gonzalez-Diaz H, (IKERBASQUE Professor), Dept. Org. Chem. II, University of The Basque Country (UPV/EHU)
#Sciforum publications hosting site: https://sciforum.net/conference/mol2net-04/ejibce-02, homepage: http://ejibce.github.io
 
Humbert González-Díaz
added an update
CALL FOR PAPERS: BIOCHEMPHYS-01: International Franco-Tunisian workshop on Medicinal Chemistry, Biotechnology, and Physical Chemistry, Cnam, Paris, France, 2018, Chairpersons: Dr. Maité Sylla , Dr. Najla Fourati , Dr. Chouki Zerrouki (CNAM, París, France), Advisory Chairperson: Prof. H. González-Díaz (IKERBASQUE, UPV/EHU, Campus Biscay), https://mol2net-04.sciforum.net/biochemphys-01
 
Humbert González-Díaz
added an update
WRSAMC-03: Workshop in Medicinal Chemistry, UFPB, Paraiba, Brasil, 2018.
Workshops on Research in Sciences Applied to Medicinal Chemistry (WRSAMC) 2018. This workshop series is organized by researches from Department of Chemistry, Programa de Pós-Graduação em Produtos Naturais e Sintéticos Bioativos (PgPNSB - Postgraduate Program in Natural Products and Synthetic Bioactive) and Hospital Universitário of Universidade Federal da Paraíba (UFPB). This year, as well as last year, WRSAMC is dedicate to the PgPNSB 40th Anniversary. More specifically, this year WRSAMC hosts the first symposium in Paraiba for chemical studies of natural products.
1st Paraiban Symposium on Chemicals for Natural Products (I SIMPEQPN)
The 1st Paraiban Symposium on Chemicals for Natural Products (I SIMPEQPN) will take place from 9 to 11 October 2018 in the Auditorium of the Rectory of the Federal University of Paraíba, in João Pessoa.
Chairperson:
Prof. Marcus T Scotti , Departamento de Química, Centro de Ciências Exatas e da Natureza, Universidade Federal da Paraíba - Campus I, Cidade Universitária, CEP: 58.051-900 João Pessoa - Paraíba - Brasil, Emails: mtscotti@gmail.com, mscotti@ccae.ufpb.br
 
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MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-819-0, ISSN: 2624-5078, 2018, Vol. 3., 679 pp. doi: 10.3390/mol2net-03-05179 Publisher link: https://sciforum.net/paper/view/conference/5179 RG link: https://www.researchgate.net/publication/323943560_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_3_679_pp
 
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MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK) MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-818-3, ISSN: 2624-5078, 2018, Vol. 2., 480 pp. doi: 10.3390/mol2net-02-05133 Publisher link: https://sciforum.net/paper/view/conference/5133 RG link: https://www.researchgate.net/publication/323812044_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_2_480_pp
 
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MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI SciForum, Basel, Switzerland, ISBN: 978-3-03842-817-6, ISSN: 2624-5078 2018, Vol. 1, 761 pp., doi: 10.3390/mol2net-02-05189 Publisher link: https://sciforum.net/paper/view/conference/5189 RGate link: https://www.researchgate.net/publication/324362665_MOL2NET_FROM_MOLECULES_TO_NETWORKS_PROC_BOOK_2018_Vol_1_761_pp
 
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Humbert González-Díaz
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This year the MOL2NET is the online host conference for IWMEDIC-04 (see details on Section I). IWMEDIC-04 is the IV International Workshop on Medical Imaging, Medical Coding, and Clinical Data Analysis of University of Coruña (UDC). The IWMEDIC-04 workshop will be held presentially at the University Hospital Complex of A Coruña (June, 20, 2016), Hospital Médico Quirúrgico San Rafael (June, 21,2016), and Faculty of Computer Sciences, UDC (June, 20-22, 2016). The chairman of this workshop is Prof. Alejandro Pazos; Ph.D., M.D., Chair and Director of Department of Computer Sciences, UDC, Coruña, Spain. The topics include, but are not limited to, Medical Imaging Processing, Medical Informatics, Medical Coding, Bioinformatics, Computer Aided Drug Desing, Data Analysis, etc. English will be the official language for online publication and presentations, as per MDPI rules, presential lectures may be in English, Spanish, or Galician.
CONFERENCE SERIES CALL FOR PAPERS ‪We are glad to invite all colleagues worldwide to participate on the MOL2NET International Conference Series on Multidisciplinary Sciences. MOL2NET (the conference running title) is the acronym of the lemma of the conference: From Molecules to Networks. This running title is inspired by the possibility of multidisciplinary collaborations in science between experimental and theoretical scientists. Homepage (2017 edition): http://sciforum.net/conference/mol2net-03. This is an International Conference Series to Foster Interdisciplinary Collaborations in Sciences with emphasis on Experimental Chemistry (all branches), Materials Science, Nanotechnology, Life Sciences, Medicine, and Healthcare, along with Data Analysis, Computer Sciences, Bioinformatics, Systems Biology, and Complex Networks Sciences. The Scientific Headquarters (HQs) of this conference series are in the Faculty of Science and Technology, University of Basque Country (UPV/EHU), Biscay, Spain. However, the idea of this multidisciplinary conference emerged from the melting pot formed as the result of multiple collaborations of professors of IKERBASQUE, Basque Foundation for Sciences, the two departments Department of Organic Chemistry I and Department of Organic Chemistry II of the University of Basque Country UPV/EHU, the Department of Computer Sciences of the University of Coruña (UDC), the Center for the Study of Biological Complexity of the Virginia Commonwealth University (VCU), USA, and many other institutions. Aims & Scope: It is devoted to the development of an online conference with a network of face-to-face (in person) associated workshops in different countries (USA, Spain, China, India, Brasil, etc.) linked and published online by a Sciforum conference platform (open access but free of charge) and special issues in MDPI journals with JCR impact factor (open access) in order to promote multidisciplinary education and collaborations in science (Chemistry, Applied Physics, Data Science, Computer Science, Nanotechnology, Medicine, Bio-sciences, etc.) between senior and young researchers worldwide. Collaborators: We listed as collaborators some members of the committee of the first edition (2015) with active Research Gate accounts, see welcome message and full committee list here: http://sciforum.net/conference/mol2net-02 Workshops Details: Face-to-Face Associated Workshops (in person) developed or under development (until now) in USA, Spain, China, India, Brazil, etc., see details on Google page: http://bit.do/google-mol2net-workshops List of Workshops: SRI-08: The 8th Annual Undergraduate Summer Research Symposium of Saint Thomas University, Miami, USA, Sept, 2016. Symposium of the Summer Research Institute (SRI), HQ, St. Thomas University (STU), http://sciforum.net/conference/mol2net-02/sri-08 UFIQOSYC 1st Young Scientist Workshop, Department of Organic Chemistry II, Universidad del País Vasco / Euskal Herriko Unibertsitatea, Leioa, Vizcaya, Spain. http://sciforum.net/conference/mol2net-02/ufi-qosyc SUIWCS-01, Soochow University International Workshop Series on Computer Sciences (see details on Section J). SUIWCS-01 workshop of School of Computer Science and Technology of Soochow University (PRC), Suzhou, China. http://sciforum.net/conference/mol2net-02/suiwml-01 IWMEDIC-04, IV International Workshop on Medical Imaging, Medical Coding, and Clinical Data Analysis of University of A Coruña (UDC). Chairperson: Prof. Alejandro Pazos. http://sciforum.net/conference/mol2net-02/iwmedic-04 WRSAMC2016: Workshop in Research Sciences Applied to Medicinal Chemistry, PNSB, Universidade Federal da Paraíba, Brasil, http://sciforum.net/conference/mol2net-02/wrsamc-01 CIESABIO 2016, Workshop on Biotechnology and Zoonotic Diseases of CIESA, FMVZ, UAEMEX Universidad Atónoma del Estado de México (UAEM). Chairperson. http://sciforum.net/conference/mol2net-02/ciesabio-01 MODEC2016 workshop of Universidad Estatal Amazónica on the development of natural products and agroindustrial process in Ecuador Amazon regions. The workshop runs both online and in person. http://sciforum.net/conference/mol2net-02/modec-01 BIOTALCA01: Workshop on Bioinformatics and Molecular Simulation, University of Talca, Chile. http://sciforum.net/conference/mol2net-02/biotalca01 Special Issues: MDPI JCR journals publish selected papers in special issues guest-edited by members of the committee: http://bit.do/ijms-mol2net-01. Languages Initiative: This international science conference focus on multidisciplinary sciences: http://sciforum.net/conference/mol2net-02. The official working language is English however we have an initiative to promote the use of other languages in order to reach non-English speakers and show the cultural heritage of different people in the world. One action in this sense includes the compilation of a playlist with welcome videos of different scientist talking about both the conference and their own work in Hindi (हिन्दी), Chinese Mandarin (官话), Spanish, French, Portuguese, and very specially in Euskera a very ancient Europe language from Basque Country (Euskadi), used today. Do not hesitate to contact Prof. Gonzalez-Diaz H. (conference ch.) humberto.gonzalezdiaz@ehu.eus, if you want to publish a similar video introducing both the conference and your own work in English or other language. Please, watch the current playlist in Youtube: http://bit.do/mol2net-youtube How to collaborate: You are invited to: (1) participate online 1-2 pages communications (no cost), (2) assist to workshops, and/or (3) send a proposal to organize a your own associated workshop with students of your university (PhD, MSc, Degree), etc., (4) send a video for our language ininitiative, and/or (5) follow the conference on social networks like: Twitter @mol2net, Facebook group (>10000 followers): https://www.facebook.com/groups/chembioinfo.networks/ Contact: Gonzalez-Diaz H., IKERBASQUE Professor, University of The Basque Country (UPV/EHU), humberto.gonzalezdiaz@ehu.eus Spanish Notes: MOL2NET, Conferencia Internacional en Ciencias Multidisciplinares, MDPI, Sciforum, Suiza, Instituciones: IKERBASQUE Fundación Vasca de Ciencia y Universidad del País Vasco (UPV/EHU), participacion online sin costo. Página oficial: http://sciforum.net/conference/mol2net-02, con workshops asociados (presenciales) http://bit.do/mol2net-workshops en varios paises. Les invitamos a: (1) participar online comunicaiones 1-2 páginas (sin coste alguno), (2) asistir a los workshops, (3) organizar workshop propio, y/o (4) ser miembros de nuestro grupo, contacto: humberto.gonzalezdiaz@ehu.eus The MOL2NET Committee
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CALL FOR PAPERS (Free of Cost), USEINWSCI-02, UMN, MinnesotaUSA, 2018: USEINWSCI-02, USA-EU-India Workshop on Multidisciplinary Sciences, University of Minnesota (UMN), USA, 2018. Meet researchers from India and their colleagues at USA, Europe, India, and other countries. Committee: Dr. Subhash C Basak, UMN, USA, Prof. Ashok K Dubey , NSIT, India, Prof. Kunal Roy, Jadavpur University, Dr. Shameer Khader , Ph.D, Northwell Health, NY, USA, Prof. Rajeev K Singla, KRMU, India, Prof. Humbert Gonzalez-Diaz, UPV/EHU, Spain. https://sciforum.net/conference/mol2net-04/useinwsci-02
 
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Humbert González-Díaz
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CALL FOR PAPERS: #MOL2NET-04, International Conference on Multidisciplinary Sciences, ISSN: 2624-5078, ISBN: 978-3-03842-820-6, MDPI SciForum, Basel, Switzerland, 2018. http://sciforum.net/conference/mol2net-04.
 
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MOL2NET: FROM MOLECULES TO NETWORKS (Conference Series) ISSN: 2624-5078, <<<All Year, Free of Cost, Worldwide Workshops>>> MOL2NET, International Conference Series, MDPI SciForum, Basel, Switzerland, 2019, https://sciforum.net/conference/mol2net-05
MOL2NET ORGANIZERS:
This is a multi-center conference series organized and/or supported by professors hired/endowed by University of Minnesota (UMN), Duluth, USA; Miami Dade College (MDC), USA; University of California (UC), Irvine, USA; Virginia Commonwealth University (VCU), USA; Harvard Medical School, USA; North Dakota State University (NDSU); University of Rostock, Germany; and CNAM, CNRS, Université Paris-Sud, France, etc. and launched by IKERBASQUE, Basque Foundation for Science and University of Basque Country (UPV/EHU) (please see full committees lists in our homepage https://mol2net-04.sciforum.net/). Some members or our committee are:
-Prof. Fernando P. Cossío (IKERBASQUE Foundation President), Prof. Dept. of Organic Chemistry I, University of Basque Country (UPV/EHU), Campus Gipuzkoa, Donostia - San Sebastián, Spain.
- Prof. James J. Chou, Dept. of Biological Chemistry & Molecular Pharmacology (BCMP), Harvard Medical School, Boston, MA 02115, USA.
- Prof. Massimo S. Fiandaca, School of Medicine, University of California, Irvine and Co-Director, Translational Laboratory and Biorepository (TLaB), Irvine, CA, USA.
- Prof. Esther Lete, (Coordinator Ph.D. Synth. & Ind. Chemistry) Dept. of Organic Chemistry II, UPV/EHU, Campus Leioa, Bilbao, Spain.
-Prof. David Quesada, Chair Dept. of Mathematics, Miami Dade College (MDC), Wolfson Campus, Miami, FL, USA.
-Prof. Jerzy Leszczynski, Dept. of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity (ICN), Jackson State University (JSU), USA.
- Prof. Jesús Jimenez Barbero, (Ikerbasque Professor), Scientific Director CICBiogune Center, Bilbao, Spain.
- Prof. Françoise Dumas, National Center for Scientific Research (CNRS), Université Paris-Sud, Paris, France.
-Prof. Dr. Allen B. Reitz, Ph.D., Adjunct Prof. Drexel University College of Medicine, Drexel University, Philadelphia, PA, USA. CEO Fox Chase Chemical Diversity Center, Inc., Doylestown, PA, USA.
- Prof. D. Bonchev, Dept. of Mathematics & Applied Mathematics, Virginia Commonwealth University (VCU), USA.
- Dr. Subhash C. Basak, Senior Scientist at Natural Resources Research Institute, Center for Water and the Environment (CWE), Duluth, MN, USA.
- Prof. E. Estrada Roger, Chair in Complexity Sciences, Institute of Complexity Systems, Dept. of Mathematics and Statistics, University of Strathclyde, Glasgow, United Kingdom.
- Prof. Peter Langer, Full Professor (C4) of Organic Chemistry, Vice Director Institute of Chemistry, University of Rostock, Germany.
MOL2NET INFORMATION:
This conference series runs both online (saving registration, publication, and traveling costs) and/or in person with many associate workshops organized in multiple centers worldwide. The conference is devoted to promote international collaboration in science and education. It involves, an online platform hosted in MDPI, Sciforum site. The platform is used to publish communications, proceeding books, and participants comments, published online in general sessions and/or presented in person at associated workshops.
MOL2NET WORKSHOPS:
The conference series have published >20 online and in person (face-to-face participation) workshops performed in universities of USA, Spain, France, Portugal, Brazil, China, Chile, etc. Authors can opt to publish full versions of their papers on associated special issues edited by conference chairpersons in JCR international journals.
MOL2NET TOPICS:
The topics of interest include, but are not limited to, Chemistry (All areas), Mathematics (Applied), Physics (Applied), Materials Science, Nanotechnology, Biology and Life Sciences (All areas), Medicine, Biomedical Engineering, Education, along with Computer Sciences, Data Analysis, Statistics, Artificial Intelligence, Deep Learning, Bioinformatics, Systems Biology, and Complex Networks Sciences.
COMMUNICATIONS & PROCEEDINGS PUBLICATION:
Individuals communications are published online with individual doi number in MDPI Sciforum Platform, Basel, Switzerland. Communications are published all the year asap upon acceptance (open access totally free of charge). In addition, at the end of each year we also publish a book of proceedings with all communications of this year and with issn/isbn numbers. See previous books of proceedings:
MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), ISSN: 2624-5078, ISBN: 978-3-03842-820-6, MDPI AG, SciForum, Basel, Switzerland, 2019, Vol. 4, 2985 pp. doi: 10.3390/mol2net-04-06143, Publisher link: https://sciforum.net/paper/view/conference/6143
RG link:
MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-819-0, ISSN: 2624-5078, 2018, Vol. 3., 679 pp. doi: 10.3390/mol2net-03-05179
MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK) MDPI Sciforum, Basel, Switzerland, ISBN: 978-3-03842-818-3, ISSN: 2624-5078, 2018, Vol. 2., 480 pp. doi: 10.3390/mol2net-02-05133
MOL2NET: FROM MOLECULES TO NETWORKS (PROC. BOOK), MDPI SciForum, Basel, Switzerland, ISBN: 978-3-03842-817-6, ISSN: 2624-5078 2018, Vol. 1, 761 pp., doi: 10.3390/mol2net-02-05189
MOL2NET JCR JOURNALS ISSUES:
In parallel to conference, the members of committee organize special issues in several MDPI Editorial Journals (http://www.mdpi.com/). Many special issues have been published or are now open and in call for papers. Submissions are welcome a posteriori, in parallel, or totally independently from the conference. Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website.
Other Professors, members of committee, and authors are also encouraged to edit special issues for different journals of the editorial MDPI. In order to send a proposal of associated workshop and/or special issue contact the chairperson of the conference Prof. González-Díaz H. IIKERBASQUE Prof., University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com. Please, check the following list of past and present special issues associated to our conference. Special Issues list:
Journal: IJMS (Call For Papers)
Special Issue: QSAR and Chemoinformatics Tools for Modeling. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 4.183. Topics: Chemometrics, QSAR/QSPR, Multi-criteria decision making, Molecular descriptors, Software development, Editor: Prof. Roberto Todeschini, University of Milano-Bicocca, Italy. Email: roberto.todeschini@unimib.it
Journal: IJMS (Issue Published)
Special issue entitled: Data Analysis in Molecular Sciences. Journal: International Journal of Molecular Sciences IJMS (ISSN 1422-0067), JCR IF = 3.257. Topics: Cheminformatics, Computational Chemistry, Bioinformatics, Data Analysis, Proteomics, Biological Networks, Editors: Prof. Humberto González-Díaz, University of the Basque Country UPV/EHU, Biscay, Spain. Prof. Roberto Todeschini, University of Milano-Bicocca, Italy, Prof. Alejandro Pazos Sierra, University of Coruña UDC, Spain, Prof. Sonia Arrasate, University of the Basque Country (UPV/EHU), Biscay, Basque Country, Spain.
Journal: Pharmaceutics (Call For Papers)
Special Issue: Nanosystems as Drug Delivery Carrier: From Nature to the Medication. Journal:Pharmaceutics (ISSN 1999-4923), JCR IF = 3.746. Topics: drug delivery systems, cyclodextrin, nanomedicine, active drugs, bioavailability. Editor: Prof. Eduardo Sobarzo-Sanchez. Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl
Journal: Nanomaterials (Issue Published)
Special Issue: Experimental Nanosciences, Computational Chemistry, and Data Analysis. Journal Nanomaterials (ISSN 2079-4991), JCR IF = 3.55. Editors: Prof. Humbert González-Díaz, UPV/EHU, Basque Country, Spain, Prof. Dr. H. Kušić, UZ, Croatia, Prof. B. Rasulev , NDSU, USA, Dr. Shameer Khader, Philips, Cambridge, MA, USA.
Journal: Molecules (Call For Papers)
Special Issue: Recent Advances in Computational Drug Discovery: From In Silico Screening to Multiscale De Novo Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2020-Jan-31. Topics: Multi-Scale De Novo Drug Design, Multi-Scale Models, QSAR-Based Approaches, Chemoinformatics, Bioinformatics, Big Data and Data Mining, Computer-Aided Drug Discovery, and Virtual Screening. Editor: Prof. Alejandro Speck-Planche. Department of Chemistry (Institute of Pharmacy), I.M. Sechenov First Moscow State Medical University, Moscow, Russian Federation. Website 1 | Website 2 | Email: alejspivanovich@gmail.com
Journal: Molecules (Call For Papers)
Special Issue: Natural Products for Neurodegenerative Diseases. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Oct-31. Topics: Medicinal chemistry; Natural products; Photochemistry reactivity; Aporphines, oxoaporphines, and oxoisoaporphines; Coumarins. Editor: Prof. Eduardo Sobarzo-Sanchez. Instituto de Investigación e Innovación en Salud, Facultad de Ciencias de la Salud, Universidad Central de Chile, Chile. Email: eduardo.sobarzo@ucentral.cl
Journal: Molecules (Call For Papers)
Special Issue: Computational Methods for Drug Discovery and Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.098. Last Date: 2019-Dec-30. Topics: molecular modeling; molecular simulations; computational biochemistry; computer-aided drug design; protein kinase inhibitors. Editor: Prof. Julio Caballero. Centro de Bioinformática y Simulación Molecular (CBSM), Facultad de Ingeniería, Universidad de Talca, Casilla 747, Talca 3460000, Chile. Email: jcaballero@utalca.cl
Journal: Molecules (Call For Papers)
Special Issue: Structure and Function of Metalloenzymes. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: catalytic power of enzymes; computer-aided drug design; bio-desulfurization; computational methods in chemistry and biochemistry; metalloenzymes; biological membranes; docking and virtual screening; computational enzymatic catalysis. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Sérgio Filipe Sousa, UCIBIO/REQUIMTE, BioSIM - Departamento de BioMedicina, Faculdade de Medicina da Universidade do Porto, Porto, Portugal. Email: sergiofsousa@med.up.pt
Journal: Molecules (Issue Published)
Special Issue: GPCR Mechanism and Drug Design. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Last Date: 2019-Nov-30. Topics: data science; drug design and discovery; computational chemistry; structural biology; molecular modeling; molecular docking; computational mutagenesis; G-protein-coupled receptors; protein–protein interactions; protein–ligand interactions. Workshop Associated: EJIBCE, Encontro de Jovens Investigadores de Biologia Computacional e Estrutural, Portugal, 2018. Editor: Dr. Irina Moreira, Center for Neuroscience and Cell Biology (CNC), University of Coimbra (UC), Portugal. Email: irina.moreira@cnc.uc.pt
Journal: Molecules (Issue Published)
Special Issue: From Computational Chemistry to Complex Networks. Journal: Molecules (ISSN 1420-3049), JCR IF = 3.06. Topics: Quantum Mechanics /Molecular Mechanics (QM/MM), Drug-target, protein-protein and other Docking methods, Monte Carlo (MC) methods, Quantitative Structure-Activity/Property Relationships (QSAR/QSPR) models, Graph theory and Complex Networks Topological Indices (TIs), Protein Structure Networks, Protein Interaction Networks (PINs) and Proteome. Editor: Prof. Humbert González-Díaz, Current Affiliation: IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com.
Journal: Entropy (Call for Papers)
Special Issue: Biological Statistical Mechanics. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Last Date: 2019-Nov-15. Topics: cell differentiation, biocomplexity, order and organization, ecology, epidemics, correlation dynamics, complex networks, systems biology. Editors: Prof. Alessandro Giuliani. Environment and Health Department, Istituto Superiore di Sanità, Roma 00161, Italy. Prof. Mariano Bizzarri, Department of Experimental Medicine, Systems Biology Group Lab, Sapienza University of Rome, Rome, Italy. Email: alessandro.giuliani@iss.it
Journal: Entropy (Issue Published)
Special Issue: Graph and Network Entropies. Journal Entropy (ISSN 1099-4300), JCR IF = 2.419. Topics: network sciences; walk entropies; algegraic graph theory; spectral methods; matrix functions. Editor: Prof. Ernesto Estrada, Department of Mathematics & Statistics, University of Strathclyde, Glasgow G11XQ, United Kingdom. Current Affiliation: ARAID Professor, Institute of Applied Mathematics (IUMA), University of Zaragoza, Spain, Email: ernesto.estrada@strath.ac.uk
Journal: Applied Sciences (Issue Published)
Special issue entitled: Complex Networks and Machine Learning: From Molecular to Social Sciences. Journal Applied Sciences (ISSN 2076-3417), JCR IF = 2.217. Topics: machine learning, complex networks, systems biology, protein networks, metabolic networks, ecosystems, artificial neural networks, social, financial, and legal networks. Editors: Prof. Maykel Cruz-Monteagudo, Email: mCruz@westcoastuniversity.edu, West Coast University, Miami Campus, FL, USA, Prof. David Quesada, Director of Dept. of Mathematics, Miami Dade Colege (MDC), Miami, FL, USA. Email: dquesada@mdc.edu, Prof. Humbert González-Díaz, IKERBASQUE Professor, Dept. of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Basque Country, Spain. Email: mol2net.chair@gmail.com
MOL2NET SOCIAL NETWORKS:
Facebook social learning group (>10 000 followers): https://www.facebook.com/groups/chembioinfo.networks/
Youtube channel (welcome videos and workshops talks) in English, Spanish, Frecnh, Portuguese, Chinese (官话), Hindi (हिन्दी), Euskera:
MOL2NET PREVIOUS EDITIONS:
Please, check out pages of all editions:
*Note: If you have been tagged as collaborator of this project it could be because: (1) your name have been listed in some of the committees of at least one edition, (2) you have organized workshops, (3) you have guest edited journal issues of this conference. If you want to be tagged as collaborator or have a doubt, contact chairperson in first instance.
Sincerely yours
MOL2NET Chairperson
González-Díaz H., IKERBASQUE Professor, mol2net.chair@gmail.com
(1) Department of Organic Chemistry II, University of the Basque Country UPV/EHU , 48940, Leioa, Biscay, Spain. (2) IKERBASQUE, Basque Foundation for Science , 48011, Bilbao, Biscay, Spain.