PB
Pradipta Bandyopadhyay
Jawaharlal Nehru University, The Graduate University for Advanced Studies, SOKENDAI
0000-0001-6343-623X
About
Theoretical and Biophysical Chemistry
Employment
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Jawaharlal Nehru University2007 - Present
Education
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The Graduate University for Advanced Studies, SOKENDAI Ph.D.1996 - 1999
Projects & Funding
Projects & funding information is unavailable.
Publications (65)
- Role of water in the pressure-induced unfolding of Bovine Pancreatic Trypsin Inhibitor (BPTI) protein: A molecular dynamics study Save
- Prediction of Ca2+binding site in proteins with a fast and accurate method based on statistical mechanics and analysis of crystal structures Save
- Nested Monte Carlo simulation of ionic systems with the primitive model using Debye-Hückel (DH) potential as an importance function and optimizing the DH potential with Kullback-Leibler divergence minimization Save
- Correlation between protein conformations and water structure and thermodynamics at high pressure: A molecular dynamics study of the Bovine Pancreatic Trypsin Inhibitor (BPTI) protein Save
- Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistance Save
- A strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2 Save
- Crustwater: Modeling Hydrophobic Solvation Save
- Calcium Ion Binding to the Mutants of Calmodulin: A Structure-Based Computational Predictive Model of Binding Affinity Using a Charge Scaling Approach in Molecular Dynamics Simulation Save
- A strategy to optimize the peptide-based inhibitors against different mutants of the spike protein of SARS-CoV-2 Save
- Tests of a generalized Barker-Henderson perturbation theory for the phase coexistence diagram of an anisotropic potential Save