Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation UR Shrestha, P Juneja, Q Zhang, V Gurumoorthy, JM Borreguero, ... Proceedings of the National Academy of Sciences 116 (41), 20446-20452, 2019 | 40 | 2019 |
Effects of pressure on the dynamics of an oligomeric protein from deep-sea hyperthermophile UR Shrestha, D Bhowmik, JRD Copley, M Tyagi, JB Leão, X Chu Proceedings of the National Academy of Sciences 112 (45), 13886-13891, 2015 | 30 | 2015 |
Arabinose substitution effect on xylan rigidity and self-aggregation UR Shrestha, S Smith, SV Pingali, H Yang, M Zahran, L Breunig, ... Cellulose 26 (4), 2267-2278, 2019 | 21 | 2019 |
Quasi-elastic neutron scattering reveals ligand-induced protein dynamics of a G-protein-coupled receptor UR Shrestha, SMDC Perera, D Bhowmik, U Chawla, E Mamontov, ... The journal of physical chemistry letters 7 (20), 4130-4136, 2016 | 18 | 2016 |
Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations UR Shrestha, JC Smith, L Petridis Communications biology 4 (1), 1-8, 2021 | 15 | 2021 |
Effect of molecular shape on rotation under severe confinement I Dhiman, D Bhowmik, UR Shrestha, DR Cole, S Gautam Chemical Engineering Science 180, 33-41, 2018 | 15 | 2018 |
Using small-angle scattering data and parametric machine learning to optimize force field parameters for intrinsically disordered proteins O Demerdash, UR Shrestha, L Petridis, JC Smith, JC Mitchell, ... Frontiers in molecular biosciences, 64, 2019 | 13 | 2019 |
Small-angle neutron scattering reveals energy landscape for rhodopsin photoactivation SMDC Perera, U Chawla, UR Shrestha, D Bhowmik, AV Struts, S Qian, ... The Journal of Physical Chemistry Letters 9 (24), 7064-7071, 2018 | 12 | 2018 |
Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study I Dhiman, UR Shrestha, D Bhowmik, DR Cole, S Gautam Chemical Physics 516, 92-102, 2019 | 7 | 2019 |
Probing the Domain Motions of an Oligomeric Protein from Deep-Sea Hyperthermophile by Neutron Spin Echo D Bhowmik, G Kaur Dhindsa, AJ Rusek, KV Delinder, UR Shrestha, ... Biophysical Journal 108 (2), 59a, 2015 | 5 | 2015 |
Collective excitations in protein as a measure of balance between its softness and rigidity UR Shrestha, D Bhowmik, KW Van Delinder, E Mamontov, H O¡¯Neill, ... The Journal of Physical Chemistry B 121 (5), 923-930, 2017 | 4 | 2017 |
Small Angle Neutron and X-Ray Scattering Reveal Conformational Differences in Detergents Affecting Rhodopsin Activation UR Shrestha, D Bhowmik, SMDC Perera, U Chawla, AV Struts, ... Biophysical Journal 108 (2), 39a, 2015 | 4 | 2015 |
Rhodopsin Photoactivation Dynamics Revealed by Quasi-Elastic Neutron Scattering D Bhowmik, UR Shrestha, SMDC Perera, U Chawla, E Mamontov, ... Biophysical Journal 108 (2), 61a, 2015 | 3 | 2015 |
Atomic-Resolution Prediction of Degrader-mediated Ternary Complex Structures by Combining Molecular Simulations with Hydrogen Deuterium Exchange T Dixon, D MacPherson, B Mostofian, T Dauzhenka, S Lotz, D McGee, ... bioRxiv, 2021 | 2 | 2021 |
Neutron Scattering Reveals Protein Fluctuations in GPCR Activation SMDC Perera, UR Shrestha, D Bhowmik, U Chawla, AV Struts, X Chu, ... Biophysical Journal 110 (3), 228a-229a, 2016 | 2 | 2016 |
Effects of pressure on the dynamics of a hyperthermophilic protein revealed by quasielastic neutron scattering UR Shrestha, D Bhowmik, JRD Copley, M Tyagi, JB Leao, XQ Chu APS March Meeting Abstracts 2016, P41. 013, 2016 | 2 | 2016 |
Slow Domain Motions of an Oligomeric Protein from Deep-Sea Hyperthermophile probed by Neutron Spin Echo D Bhowmik, U Shrestha, G Dhindsa, M Sharp, LR Stingaciu, XQ Chu, ... APS March Meeting Abstracts 2016, M1. 258, 2016 | 2 | 2016 |
G-Protein-Coupled Receptor Activation Investigated using Small-Angle Neutron Scattering SMDC Perera, UR Shrestha, U Chawla, AV Struts, S Qian, MF Brown, ... Biophysical Journal 106 (2), 634a, 2014 | 2 | 2014 |
Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study R Agarwal, UR Shrestha, XQ Chu, L Petridis, JC Smith Biophysical Journal 119 (1), 142-150, 2020 | 1 | 2020 |
Mesophilic enzyme function at high temperature: molecular dynamics of hyperthermophilic and mesophilic pyrophosphatases R Agarwal, UR Shrestha, XQ Chu, L Petridis, JC Smith bioRxiv, 2020 | 1 | 2020 |