Theoretical and computational analysis of static and dynamic anomalies in water− DMSO binary mixture at low DMSO concentrations S Roy, S Banerjee, N Biyani, B Jana, B Bagchi The Journal of Physical Chemistry B 115 (4), 685-692, 2011 | 103 | 2011 |
Redox-dependent gating of VDAC by mitoNEET CH Lipper, JT Stofleth, F Bai, YS Sohn, S Roy, R Mittler, R Nechushtai, ... Proceedings of the National Academy of Sciences 116 (40), 19924-19929, 2019 | 99 | 2019 |
Enhanced pair hydrophobicity in the water− dimethylsulfoxide (DMSO) binary mixture at low DMSO concentrations S Banerjee, S Roy, B Bagchi The Journal of Physical Chemistry B 114 (40), 12875-12882, 2010 | 99 | 2010 |
Dimethyl sulfoxide induced structural transformations and non-monotonic concentration dependence of conformational fluctuation around active site of lysozyme S Roy, B Jana, B Bagchi The Journal of Chemical Physics 136 (11), 2012 | 84 | 2012 |
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 | 83 | 2013 |
Hydrophobic hydration driven self-assembly of curcumin in water: Similarities to nucleation and growth under large metastability, and an analysis of water dynamics at … MK Hazra, S Roy, B Bagchi The Journal of chemical physics 141 (18), 2014 | 54 | 2014 |
Solvent sensitivity of protein unfolding: dynamical study of chicken villin headpiece subdomain in water–ethanol binary mixture R Ghosh, S Roy, B Bagchi The Journal of Physical Chemistry B 117 (49), 15625-15638, 2013 | 52 | 2013 |
Comparative study of protein unfolding in aqueous urea and dimethyl sulfoxide solutions: Surface polarity, solvent specificity, and sequence of secondary structure melting S Roy, B Bagchi The Journal of Physical Chemistry B 118 (21), 5691-5697, 2014 | 50 | 2014 |
Dynamic asymmetry exposes 2019-nCoV prefusion spike S Roy, A Jaiswar, R Sarkar The journal of physical chemistry letters 11 (17), 7021-7027, 2020 | 43 | 2020 |
PAGE4 and conformational switching: Insights from molecular dynamics simulations and implications for prostate cancer X Lin, S Roy, MK Jolly, F Bocci, NP Schafer, MY Tsai, Y Chen, Y He, ... Journal of molecular biology 430 (16), 2422-2438, 2018 | 38 | 2018 |
Free energy barriers for escape of water molecules from protein hydration layer S Roy, B Bagchi The Journal of Physical Chemistry B 116 (9), 2958-2968, 2012 | 38 | 2012 |
Sensitivity of water dynamics to biologically significant surfaces of monomeric insulin: Role of topology and electrostatic interactions K Bagchi, S Roy The Journal of Physical Chemistry B 118 (14), 3805-3813, 2014 | 37 | 2014 |
Magnesium controls aptamer-expression platform switching in the SAM-I riboswitch S Roy, SP Hennelly, H Lammert, JN Onuchic, KY Sanbonmatsu Nucleic acids research 47 (6), 3158-3170, 2019 | 35 | 2019 |
Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems R Ghosh, S Banerjee, M Hazra, S Roy, B Bagchi The Journal of Chemical Physics 141 (22), 2014 | 29 | 2014 |
A magnesium-induced triplex pre-organizes the SAM-II riboswitch S Roy, H Lammert, RL Hayes, B Chen, R LeBlanc, TK Dayie, JN Onuchic, ... PLoS computational biology 13 (3), e1005406, 2017 | 28 | 2017 |
A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics RN Ola Karmi, Henri-Baptiste Marjault, Fang Bai, Susmita Roy, Yang-Sung ... PNAS 119 (7), 2022 | 27* | 2022 |
Exploring energy landscapes of intrinsically disordered proteins: Insights into functional mechanisms AB Oliveira Junior, X Lin, P Kulkarni, JN Onuchic, S Roy, VBP Leite Journal of Chemical Theory and Computation 17 (5), 3178-3187, 2021 | 26 | 2021 |
Chemical unfolding of chicken villin headpiece in aqueous Dimethyl Sulfoxide solution: Cosolvent concentration dependence, pathway, and microscopic mechanism S Roy, B Bagchi The Journal of Physical Chemistry B 117 (16), 4488-4502, 2013 | 26 | 2013 |
Structural and dynamical order of a disordered protein: molecular insights into conformational switching of PAGE4 at the systems level X Lin, P Kulkarni, F Bocci, NP Schafer, S Roy, MY Tsai, Y He, Y Chen, ... Biomolecules 9 (2), 77, 2019 | 23 | 2019 |
Cooperation between magnesium and metabolite controls collapse of the SAM-I riboswitch S Roy, JN Onuchic, KY Sanbonmatsu Biophysical journal 113 (2), 348-359, 2017 | 23 | 2017 |