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Pradipta Bandyopadhyay

Showing results (1-10 of 39) with videos related to

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The Journal of Chemical Physics|April 10, 2008
Two-surface Monte Carlo with basin hopping: quantum mechanical trajectory and multiple stationary points of water clusterPradipta Bandyopadhyay
The Journal of Chemical Physics|April 20, 2005
Accelerating quantum mechanical/molecular mechanical sampling using pure molecular mechanical potential as an importance function: the case of effective fragment potentialPradipta Bandyopadhyay
Journal of Molecular Modeling|May 5, 2011
Investigation of the acylation mechanism of class C beta-lactamase: pKa calculation, molecular dynamics simulation and quantum mechanical calculationSmriti Sharma, Pradipta Bandyopadhyay
The Journal of Physical Chemistry. A|September 21, 2011
Monte Carlo temperature basin paving with effective fragment potential: an efficient and fast method for finding low-energy structures of water clusters (H2O)20 and (H2O)25Sudhanshu Shanker, Pradipta Bandyopadhyay
The Journal of Chemical Physics|September 24, 2015
An analytical correlated random walk model and its application to understand subdiffusion in crowded environmentSabeeha Hasnain, Pradipta Bandyopadhyay
Journal of Biosciences|July 4, 2012
Determination of low-energy structures of a small RNA hairpin using Monte Carlo-based techniquesSudhanshu Shanker, Pradipta Bandyopadhyay
Journal of Biomolecular Structure & Dynamics|July 19, 2016
How Mg<sup>2+</sup> ion and water network affect the stability and structure of non-Watson-Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) studySudhanshu Shanker, Pradipta Bandyopadhyay
The Journal of Chemical Physics|March 8, 2023
Correlation between protein conformations and water structure and thermodynamics at high pressure: A molecular dynamics study of the Bovine Pancreatic Trypsin Inhibitor (BPTI) proteinUmesh C Roy, Pradipta Bandyopadhyay
Chemical Biology & Drug Design|February 24, 2006
Drug resistance of HIV-1 protease against JE-2147: I47V mutation investigated by molecular dynamics simulationPradipta Bandyopadhyay, B R Meher
Biopolymers|September 11, 2008
Computational investigation of kinetics of cross-linking reactions in proteins: importance in structure predictionPradipta Bandyopadhyay, Irwin D Kuntz
Pageof 4

Showing results (1-10 of 39) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|April 10, 2008
Two-surface Monte Carlo with basin hopping: quantum mechanical trajectory and multiple stationary points of water clusterPradipta Bandyopadhyay
The Journal of Chemical Physics|April 20, 2005
Accelerating quantum mechanical/molecular mechanical sampling using pure molecular mechanical potential as an importance function: the case of effective fragment potentialPradipta Bandyopadhyay
Journal of Molecular Modeling|May 5, 2011
Investigation of the acylation mechanism of class C beta-lactamase: pKa calculation, molecular dynamics simulation and quantum mechanical calculationSmriti Sharma, Pradipta Bandyopadhyay
The Journal of Physical Chemistry. A|September 21, 2011
Monte Carlo temperature basin paving with effective fragment potential: an efficient and fast method for finding low-energy structures of water clusters (H2O)20 and (H2O)25Sudhanshu Shanker, Pradipta Bandyopadhyay
The Journal of Chemical Physics|September 24, 2015
An analytical correlated random walk model and its application to understand subdiffusion in crowded environmentSabeeha Hasnain, Pradipta Bandyopadhyay
Journal of Biosciences|July 4, 2012
Determination of low-energy structures of a small RNA hairpin using Monte Carlo-based techniquesSudhanshu Shanker, Pradipta Bandyopadhyay
Journal of Biomolecular Structure & Dynamics|July 19, 2016
How Mg<sup>2+</sup> ion and water network affect the stability and structure of non-Watson-Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) studySudhanshu Shanker, Pradipta Bandyopadhyay
The Journal of Chemical Physics|March 8, 2023
Correlation between protein conformations and water structure and thermodynamics at high pressure: A molecular dynamics study of the Bovine Pancreatic Trypsin Inhibitor (BPTI) proteinUmesh C Roy, Pradipta Bandyopadhyay
Chemical Biology & Drug Design|February 24, 2006
Drug resistance of HIV-1 protease against JE-2147: I47V mutation investigated by molecular dynamics simulationPradipta Bandyopadhyay, B R Meher
Biopolymers|September 11, 2008
Computational investigation of kinetics of cross-linking reactions in proteins: importance in structure predictionPradipta Bandyopadhyay, Irwin D Kuntz
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