ProtTrans: towards cracking the language of Life's code through self-supervised deep learning and high performance computing A Elnaggar, M Heinzinger, C Dallago, G Rihawi, Y Wang, L Jones, ... arXiv preprint arXiv:2007.06225, 2020 | 252 | 2020 |
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020 | 83 | 2020 |
Deep clustering of protein folding simulations D Bhowmik, S Gao, MT Young, A Ramanathan BMC bioinformatics 19 (18), 47-58, 2018 | 59 | 2018 |
Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning R Romero, A Ramanathan, T Yuen, D Bhowmik, M Mathew, LB Munshi, ... Proceedings of the National Academy of Sciences 116 (11), 5086-5095, 2019 | 47 | 2019 |
Aqueous solutions of tetraalkylammonium halides: ion hydration, dynamics and ion-ion interactions in light of steric effects D Bhowmik, N Malikova, O Bernard, J Teixeira, P Turq Physical Chemistry Chemical Physics 16 (26), 13447-13457, 2014 | 47 | 2014 |
Single chain dynamic structure factor of linear polymers in an all-polymer nano-composite A Arbe, JA Pomposo, I Asenjo-Sanz, D Bhowmik, O Ivanova, ... Macromolecules 49 (6), 2354-2364, 2016 | 44 | 2016 |
Deepdrivemd: Deep-learning driven adaptive molecular simulations for protein folding H Lee, M Turilli, S Jha, D Bhowmik, H Ma, A Ramanathan 2019 IEEE/ACM Third Workshop on Deep Learning on Supercomputers (DLS), 12-19, 2019 | 36 | 2019 |
Microscopic dynamics in nanocomposites of poly (ethylene oxide) and poly (methyl methacrylate) soft nanoparticles: A quasi-elastic neutron scattering study D Bhowmik, JA Pomposo, F Juranyi, V García-Sakai, M Zamponi, Y Su, ... Macromolecules 47 (1), 304-315, 2014 | 35 | 2014 |
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 | 31 | 2015 |
Aqueous solutions of ionenes: interactions and counterion specific effects as seen by neutron scattering N Malikova, S Čebašek, V Glenisson, D Bhowmik, G Carrot, V Vlachy Physical Chemistry Chemical Physics 14 (37), 12898-12904, 2012 | 31 | 2012 |
Biochemical and structural analyses reveal that the tumor suppressor neurofibromin (NF1) forms a high-affinity dimer M Sherekar, SW Han, R Ghirlando, S Messing, M Drew, D Rabara, ... Journal of Biological Chemistry 295 (4), 1105-1119, 2020 | 26 | 2020 |
Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane QN Van, CA López, M Tonelli, T Taylor, B Niu, CB Stanley, D Bhowmik, ... Proceedings of the National Academy of Sciences 117 (39), 24258-24268, 2020 | 25 | 2020 |
Sex disparities and neutralizing-antibody durability to SARS-CoV-2 infection in convalescent individuals AJ Markmann, N Giallourou, DR Bhowmik, YJ Hou, A Lerner, DR Martinez, ... Msphere 6 (4), e00275-21, 2021 | 24 | 2021 |
Investigation of a nanocomposite of 75 wt% poly (methyl methacrylate) nanoparticles with 25 wt% poly (ethylene oxide) linear chains: a quasielatic neutron scattering … D Bhowmik, JA Pomposo, F Juranyi, V García Sakai, M Zamponi, A Arbe, ... Macromolecules 47 (9), 3005-3016, 2014 | 24 | 2014 |
Enhanced Dynamics of Hydrated tRNA on Nanodiamond Surfaces: A Combined Neutron Scattering and MD Simulation Study GK Dhindsa*, D Bhowmik* (*Equal Contribution), M Goswami, HM O'Neill, ... The Journal of Physical Chemistry B, 2016 | 20 | 2016 |
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 |
Characterization and calibration of a SSNTD for heavy-ion detection and strangelet search in cosmic rays D Bhowmik, S Dey, A Maulik, S Raha, S Saha, SK Saha, D Syam Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2011 | 17 | 2011 |
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 |
Study of tetrabutylammonium bromide in aqueous solution by neutron scattering D Bhowmik*, N Malikova, J Teixeira, G Mériguet, O Bernard, P Turq, ... The European Physical Journal Special Topics 213 (1), 303-312, 2012 | 15 | 2012 |
How Distinct Structural Flexibility within SARS-CoV-2 Spike Protein Reveals Potential Therapeutic Targets SH Chen, MT Young, J Gounley, C Stanley, D Bhowmik 2021 IEEE International Conference on Big Data (Big Data), 4333-4341, 2022 | 14 | 2022 |