Pradipta Bandyopadhyay
Affiliations: | Jawaharlal Nehru University, New Delhi, Delhi, India |
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Parents
Sign in to add mentor| N. Sathyamurthy | research assistant | 1994 | IIT Kanpur |
| Suehiro Iwata | grad student | 1996-1999 | Institute for Molecular Science |
| Mark S. Gordon | post-doc | 1999-2001 | Iowa State |
| Peter A. Kollman | post-doc | 2001-2002 | UCSF |
Irwin D. TackKuntz |
post-doc | 2001-2002 | UCSF |
| Teresa Head-Gordon | post-doc | 2003-2004 | UC Berkeley |
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Publications
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| Srivastava R, Chattopadhyaya M, Bandyopadhyay P. (2020) Calculation of salt-dependent free energy of binding of β-lactoglobulin homodimer formation and mechanism of dimer formation using molecular dynamics simulation and three-dimensional reference interaction site model (3D-RISM): diffuse salt ions and non-polar interactions between the monomers favor the dimer formation. Physical Chemistry Chemical Physics : Pccp |
| Rakshit A, Bandyopadhyay P, Heindel JP, et al. (2019) Atlas of putative minima and low-lying energy networks of water clusters n = 3-25. The Journal of Chemical Physics. 151: 214307 |
| Pandey P, Srivastava R, Bandyopadhyay P. (2018) Comparison of molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics-three-dimensional reference interaction site model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test Chemical Physics Letters. 695: 69-78 |
| Rakshit A, Yamaguchi T, Asada T, et al. (2017) Understanding the structure and hydrogen bonding network of (H2O)32 and (H2O)33: an improved Monte Carlo temperature basin paving (MCTBP) method and quantum theory of atoms in molecules (QTAIM) analysis Rsc Advances. 7: 18401-18417 |
| Asada T, Ando K, Bandyopadhyay P, et al. (2016) Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase. The Journal of Physical Chemistry. B |
| Singh P, Sarkar SK, Bandyopadhyay P. (2016) Folding-unfolding transition in the mini-protein villin headpiece (HP35): An equilibrium study using the Wang-Landau algorithm Chemical Physics. 468: 1-8 |
| Hasnain S, Bandyopadhyay P. (2015) An analytical correlated random walk model and its application to understand subdiffusion in crowded environment. The Journal of Chemical Physics. 143: 114104 |
| Sharma S, Kumar A, Kundu S, et al. (2015) Molecular dynamics simulations indicate that TyrosineB10 limits motions of distal Histidine to regulate CO binding in soybean leghemoglobin. Proteins |
| Sahu N, Gadre SR, Rakshit A, et al. (2014) Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches benchmarked by MP2 calculations. The Journal of Chemical Physics. 141: 164304 |
| Singh P, Sarkar SK, Bandyopadhyay P. (2014) Wang-Landau density of states based study of the folding-unfolding transition in the mini-protein Trp-cage (TC5b). The Journal of Chemical Physics. 141: 015103 |