| Ultrafast solvation dynamics in water: Isotope effects and comparison with experimental results N Nandi, S Roy, B Bagchi The Journal of chemical physics 102 (3), 1390-1397, 1995 | 174 | 1995 |
| Solvation dynamics in liquid water. A novel interplay between librational and diffusive modes S Roy, B Bagchi The Journal of chemical physics 99 (12), 9938-9943, 1993 | 150 | 1993 |
| Anomalous ion diffusion in dense dipolar liquids R Biswas, S Roy, B Bagchi Physical review letters 75 (6), 1098, 1995 | 104 | 1995 |
| Ultrafast underdamped solvation: Agreement between computer simulation and various theories of solvation dynamics S Roy, B Bagchi The Journal of chemical physics 99 (2), 1310-1319, 1993 | 85 | 1993 |
| Protein side-chain motion and hydration in proton-transfer pathways. Results for cytochrome P450cam S Taraphder, G Hummer Journal of the American Chemical Society 125 (13), 3931-3940, 2003 | 81 | 2003 |
| Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II CM Maupin, N Castillo, S Taraphder, C Tu, R McKenna, DN Silverman, ... Journal of the American Chemical Society 133 (16), 6223-6234, 2011 | 69 | 2011 |
| Identification of proton-transfer pathways in human carbonic anhydrase II A Roy, S Taraphder The Journal of Physical Chemistry B 111 (35), 10563-10576, 2007 | 61 | 2007 |
| Molecular theory of ultrafast solvation in liquid acetonitrile S Roy, S Komath, B Bagchi The Journal of chemical physics 99 (4), 3139-3142, 1993 | 52 | 1993 |
| Solvation dynamics of tryptophan in water-dimethyl sulfoxide binary mixture: In search of molecular origin of composition dependent multiple anomalies S Roy, B Bagchi The Journal of chemical physics 139 (3), 2013 | 50 | 2013 |
| Time dependent solution of generalized Zusman model of outersphere electron transfer reactions: Applications to various experimental situations S Roy, B Bagchi The Journal of chemical physics 100 (12), 8802-8816, 1994 | 43 | 1994 |
| Effects of ultrafast solvation on the rate of adiabatic outer-sphere electron transfer reactions S Roy, B Bagchi The Journal of Physical Chemistry 98 (37), 9207-9215, 1994 | 39 | 1994 |
| Microscopic theory of ion solvation dynamics in liquid methanol S Roy, B Bagchi The Journal of chemical physics 101 (5), 4150-4155, 1994 | 38 | 1994 |
| Coupling protein dynamics with proton transport in human carbonic anhydrase II S Taraphder, CM Maupin, JMJ Swanson, GA Voth The Journal of Physical Chemistry B 120 (33), 8389-8404, 2016 | 33 | 2016 |
| Solvation dynamics, energy distribution and trapping of a light solute ion S Roy, B Bagchi Chemical physics 183 (2-3), 207-216, 1994 | 29 | 1994 |
| Reaction coordinate, free energy, and rate of intramolecular proton transfer in human carbonic anhydrase II S Paul, TK Paul, S Taraphder The Journal of Physical Chemistry B 122 (11), 2851-2866, 2018 | 25 | 2018 |
| Transition path sampling study of the conformational fluctuation of His-64 in human carbonic anhydrase II A Roy, S Taraphder The Journal of Physical Chemistry B 113 (37), 12555-12564, 2009 | 23 | 2009 |
| Determination of the reaction coordinate for a key conformational fluctuation in human carbonic anhydrase II S Paul, S Taraphder The Journal of Physical Chemistry B 119 (34), 11403-11415, 2015 | 20 | 2015 |
| A theoretical study on the detection of proton transfer pathways in some mutants of human carbonic anhydrase II A Roy, S Taraphder The Journal of Physical Chemistry B 112 (43), 13597-13607, 2008 | 19 | 2008 |
| Proton affinity of polar amino acid sidechain analogues anchored to the outer wall of single walled carbon nanotubes TG Abi, T Karmakar, S Taraphder Computational and Theoretical Chemistry 1010, 53-66, 2013 | 18 | 2013 |
| Proton transfer pathways in the mutant His‐64–Ala of human carbonic anhydrase II A Roy, S Taraphder Biopolymers: Original Research on Biomolecules 82 (6), 623-630, 2006 | 18 | 2006 |
