Suman Bhaumik

Suman Bhaumik
University of Minnesota Twin Cities | UMN · Department of Chemistry

Graduate Student University of Minnesota

About

7
Publications
4,048
Reads
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99
Citations
Citations since 2017
6 Research Items
99 Citations
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Publications

Publications (7)
Article
The photoinduced ring-opening reaction of 1,3-cyclohexadiene to produce 1,3,5-hexatriene is a classic electrocyclic reaction and is also a prototype for many reactions of biological and synthetic importance. Here, we simulate the ultrafast nonadiabatic dynamics of the reaction in the manifold of the three lowest valence electronic states by using e...
Article
The importance of conventional non‐covalent interactions such as hydrogen bond (H‐bond) and halogen bond (X‐bond) in structure and function of biological molecules are well established while carbon bond (C‐bond), yet another non‐covalent interaction is to be recognized. In proteins, the occurrences and importance of carbon bonds (C‐bonds), the high...
Article
Full-text available
The importance of conventional non‐covalent interactions such as hydrogen bond (H‐bond) and halogen bond (X‐bond) in structure and function of biological molecules are well established while carbon bond (C‐bond), yet another non‐covalent interaction is to be recognized. In proteins, the occurrences and importance of carbon bonds (C‐bonds), the high...
Presentation
Full-text available
Check of Size Consistency in Different Levels of Theory

Questions

Questions (3)
Question
I am not getting the desired from STRIDE analysis. Also I am observing CHARMM forcefield uses the MET parameters for MSE. Will there be no problem as the polarizability of Se is different from S ?
Question
Is it completely based on bond strength or there are other criterias? How much weight should be given to each?
Question
Can lattice energy calculations provide proper quantification of weak interactions?

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Cited By

Projects

Projects (3)
Project
Study the molecular dynamics of proteins using Amber
Project
Dynamics study
Project
Quantification of weak interactions