| ProtTrans: Toward understanding the language of life through self-supervised learning A Elnaggar, M Heinzinger, C Dallago, G Rehawi, Y Wang, L Jones, ... IEEE Transactions on Pattern Analysis & Machine Intelligence 44 (10), 7112-7127, 2022 | 1217 | 2022 |
| 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 | 162 | 2020 |
| ProtTrans: Towards cracking the language of Life’s code through self-supervised deep learning and high performance computing. arXiv 2020 A Elnaggar, M Heinzinger, C Dallago, G Rihawi, Y Wang, L Jones, ... arXiv preprint arXiv:2007.06225, 2007 | 97 | 2007 |
| Deep clustering of protein folding simulations D Bhowmik, S Gao, MT Young, A Ramanathan BMC bioinformatics 19, 47-58, 2018 | 76 | 2018 |
| 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 | 68 | 2019 |
| 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 | 62 | 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 | 58 | 2014 |
| 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), 10.1128/msphere. 00275-21, 2021 | 47 | 2021 |
| 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 | 47 | 2016 |
| Using GANs with adaptive training data to search for new molecules AE Blanchard, C Stanley, D Bhowmik Journal of cheminformatics 13, 1-8, 2021 | 45 | 2021 |
| 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 | 43 | 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 | 40 | 2020 |
| 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 | 39 | 2014 |
| Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites E Cho, M Rosa, R Anjum, S Mehmood, M Soban, M Mujtaba, K Bux, ... Journal of Chemical Information and Modeling 61 (6), 3058-3073, 2021 | 37 | 2021 |
| 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 | 37 | 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 | 36 | 2012 |
| Structure-based enzyme engineering improves donor-substrate recognition of Arabidopsis thaliana glycosyltransferases A Akere, SH Chen, X Liu, Y Chen, SC Dantu, A Pandini, D Bhowmik, ... Biochemical Journal 477 (15), 2791-2805, 2020 | 34 | 2020 |
| 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 | 28 | 2014 |
| 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 | 27 | 2016 |
| Language models for the prediction of SARS-CoV-2 inhibitors AE Blanchard, J Gounley, D Bhowmik, M Chandra Shekar, I Lyngaas, ... The International Journal of High Performance Computing Applications 36 (5-6 …, 2022 | 25 | 2022 |
Arvind RamanathanArgonne National Laboratory在 anl.gov 的电子邮件经过验证
