| Can relative binding free energy predict selectivity of reversible covalent inhibitors? P Chatterjee, WM Botello-Smith, H Zhang, L Qian, A Alsamarah, D Kent, ... Journal of the American Chemical Society 139 (49), 17945-17952, 2017 | 49 | 2017 |
| Molecular mechanism of resveratrol’s lipid membrane protection Q Fei, D Kent, WM Botello-Smith, F Nur, S Nur, A Alsamarah, P Chatterjee, ... Scientific reports 8 (1), 1587, 2018 | 46 | 2018 |
| Ranking reversible covalent drugs: from free energy perturbation to fragment docking H Zhang, W Jiang, P Chatterjee, Y Luo Journal of chemical information and modeling 59 (5), 2093-2102, 2019 | 44 | 2019 |
| CHARMM‐GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field AA Kognole, J Lee, SJ Park, S Jo, P Chatterjee, JA Lemkul, J Huang, ... Journal of computational chemistry 43 (5), 359-375, 2022 | 27 | 2022 |
| Toward prediction of electrostatic parameters for force fields that explicitly treat electronic polarization E Heid, M Fleck, P Chatterjee, C Schröder, AD MacKerell Jr Journal of chemical theory and computation 15 (4), 2460-2469, 2019 | 27 | 2019 |
| Harnessing deep learning for optimization of lennard-jones parameters for the polarizable classical drude oscillator force field P Chatterjee, MY Sengul, A Kumar, AD MacKerell Jr Journal of chemical theory and computation 18 (4), 2388-2407, 2022 | 19 | 2022 |
| Deep neural network model to predict the electrostatic parameters in the polarizable classical Drude oscillator force field A Kumar, P Pandey, P Chatterjee, AD MacKerell Jr Journal of chemical theory and computation 18 (3), 1711-1725, 2022 | 17 | 2022 |
| Effects of bioactive constituents in the Traditional Chinese Medicinal formula Si–Wu–Tang on Nrf2 signaling and neoplastic cellular transformation MM Liu, KM Huang, L Qian, P Chatterjee, S Zhang, R Li, S Zhou, Z Wang, ... Phytomedicine 40, 1-9, 2018 | 17 | 2018 |
| The connexin26 human mutation N14K disrupts cytosolic intersubunit interactions and promotes channel opening JM Valdez Capuccino, P Chatterjee, IE García, WM Botello-Smith, ... Journal of General Physiology 151 (3), 328-341, 2019 | 16 | 2019 |
| Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock WM Botello-Smith, A Alsamarah, P Chatterjee, C Xie, JJ Lacroix, J Hao, ... PLoS Computational Biology 13 (8), e1005711, 2017 | 16 | 2017 |
| Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models E Heid, S Schmode, P Chatterjee, AD MacKerell, C Schröder Physical Chemistry Chemical Physics 21 (32), 17703-17710, 2019 | 11 | 2019 |
| Drude polarizable lipid force field with explicit treatment of long-range dispersion: Parametrization and validation for saturated and monounsaturated zwitterionic lipids Y Yu, RM Venable, J Thirman, P Chatterjee, A Kumar, RW Pastor, B Roux, ... Journal of Chemical Theory and Computation 19 (9), 2590-2605, 2023 | 10 | 2023 |
| Overlapping structure features selection in linear and non-linear QSAR M Ojha, M Yadav, A Nayarisseri, J Prajapati, N Pandey, P Chatterjee journal of pharmacy research 6 (1), 183-187, 2013 | 4 | 2013 |
| Cancer cell metabolism featuring Nrf2 P Chatterjee, M Yadav, N Chauhan, Y Huang, Y Luo Current Drug Discovery Technologies 17 (3), 263-271, 2020 | 3 | 2020 |
| A Nexus model of cellular transition in cancer M Yadav, P Chatterjee, S Tolani, J Kulkarni, M Mulye, N Chauhan, ... Biological Research 51 (1), 23, 2018 | 2 | 2018 |
| Nitro-benzylideneoxymorphone, a bifunctional mu and delta opioid receptor ligand with high mu opioid receptor efficacy KM Olson, AL Devereaux, P Chatterjee, SL Saldaña-Shumaker, A Shafer, ... Frontiers in Pharmacology 14, 1230053, 2023 | 1 | 2023 |
Yun LuoAssociate ProfessorGeverifieerd e-mailadres voor westernu.edu
