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Dr. Susmita Roy
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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
1022011
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
972010
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
952019
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
832012
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
582014
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
522013
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
502014
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
502013
Dynamic asymmetry exposes 2019-nCoV prefusion spike
S Roy, A Jaiswar, R Sarkar
The journal of physical chemistry letters 11 (17), 7021-7027, 2020
412020
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
382018
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
382012
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
362014
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
342019
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
292014
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
262017
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
262013
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
252021
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
22*2022
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
222019
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
212017
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Articles 1–20