Savíns Puertas-Martín

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• PhD in computer science
• PhD at University of Almería

Intensity Modulated Radiotherapy (IMRT) employs radiation beams with varying angles and intensities to precisely target cancerous tissues while sparing healthy organs. Planning methods based on the generalized Equivalent Uniform Dose (gEUD) metric achieve excellent Planning Target Volume coverage. However, computing these plans requires extensive p...

Intensity Modulated Radiation Therapy is an effective cancer treatment. Models based on the Generalized Equivalent Uniform Dose (gEUD) provide radiation plans with excellent planning target volume coverage and low radiation for organs at risk. However, manual adjustment of the parameters involved in gEUD is required to ensure that the plans meet pa...

Ligand-Based Virtual Screening accelerates and cheapens the design of new drugs. However, it needs efficient optimizers because of the size of compound databases. This work proposes a new method called Tangram CW. The proposal also encloses a knowledge-based filter of compounds. Tangram CW achieves comparable results to the state-of-the-art tools O...

This study enhances the computational efficiency of Radiotherapy Plans (RP) utilized in Intensity Modulated Radiotherapy (IMRT). IMRT is a technique that employs radiation beams with varying angles and intensities to deliver radiation to cancerous tissues while safeguarding healthy organs. The planning methods reliant on the gEUD metric yield radia...

Compound identification in ligand-based virtual screening is limited by two key issues: the quality and the time needed to obtain predictions. In this sense, we designed OptiPharm, an algorithm that obtained excellent results in improving the sequential methods in the literature. In this work, we go a step further and propose its parallelization. S...

Virtual Screening (VS) is a technique aimed at reducing the time and budget required when working on drug discovery campaigns. The idea consists of applying computational procedures to prefilter databases to a subset of potential compounds, to be characterized experimentally in later phases. The problem lies in the fact that the current VS methods...

Virtual screening methods focus on searching molecules with similar properties to a given compound. Molecule databases are made up of large numbers of compounds and are constantly increasing. Therefore, fast and efficient methodologies and tools have to be designed to explore them quickly. In this context, ligand-based virtual screening methods are...

Recently, a new piece of software called OptiPharm has been proposed to optimize the similarity between two given molecules. A comprehensive study proved it was very competitive compared with state-of-the-art algorithms such as WEGA and ROCS. However, all of these methods, including OptiPharm, assume the proteins as rigid, resulting in poor or inef...

Ligand Based Virtual Screening methods are used to screen molecule databases to select the most promising compounds for a query. This is performed by decision-makers based on the information of the descriptors, which are usually processed individually. This methodology leads to a lack of information and hard post-processing dependent on the expert’...

Drug discovery allows the discovery of molecules with pharmacological activity, and it is well-known to be a great time and cost consuming process. Indeed, there are millions of potential druglike compounds and the possibilities for de novo drug design are unlimited. This huge number of possible candidates has made it necessary to develop an automa...

Traditionally, the final part of the subject Structure and Computers Technology at the University of Almería introduced students the architecture and assembly of MIPS processors. However, students perceived this architecture antiquated and with little relevance in current Computer Science. For this reason, the program of this subject has been updat...

div>Ligand Based Virtual Screening (LBVS) methods are widely used in drug discovery as filters for subsequent in-vitro and in-vivo characterization. This means, increasing accuracy of LBVS approaches may have a huge impact on increasing chances of success. Since the databases processed in drug discovery campaigns are enormously large, this pre-sele...

En este artículo se expone el cambio realizado durante el curso académico 2018-2019 en la asignatura de Estructura de Computadores con la inclusión del procesador ARM que tan buena aceptación tiene entre los estudiantes. En concreto se ha utilizado una versión simplificada del procesador, denominada ARM-Simple, para facilitar el aprendizaje a los a...

BRUSELAS (Balanced Rapid and Unrestricted Server for Extensive Ligand-Aimed Screening) is a novel, highly efficient web software architecture for 3D shape and pharmacophore searches in off the cuff libraries. A wide panel of shape and pharmacophore similarity algorithms are combined to avoid unbiased results while yielding consensus scoring functio...

In food industry, the combined treatments based on high-pressure and temperature (HPT) are frequently used to increase the durability of the products without damaging their organoleptic and nutritional properties. However, achieving a reasonable compromise between conservation and quality is usually a challenging task. In a previous work, we propos...

Information in chemistry field is increasing each year implying new databases and more available information. Different techniques are adopted to learn how to manage that information. Ligand-Based Virtual Screening methods help in this process. It consists on processing a compound against large databases containing up to millions of chemical compou...

Virtual Screening (VS) methods can drastically accelerate global drug discovery processes. Among the most widely used VS approaches, Shape Similarity Methods compare in detail the global shape of a query molecule against a large database of potential drug compounds. Even so, the databases are so enormously large that, in order to save time, the cur...

In this work, we deal with the optimization of a High-Pressure Thermal (HPT) process for treating food samples. In particular, this industrial problem has several conflicting objectives as vitamin retention and enzymatic reduction or temperature control. Recently, this optimization problem has been solved by using a multi-objective optimization alg...