| AMBER 2015 DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ... University of California, 2015 | 5222* | 2015 |
| AMBER 2018, University of California, San Francisco DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Ta [Google Scholar], 2018 | 149 | 2018 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 111 | 2018 |
| Efficient approximation of ligand rotational and translational entropy changes upon binding for use in MM-PBSA calculations IY Ben-Shalom, S Pfeiffer-Marek, KH Baringhaus, H Gohlke Journal of chemical information and modeling 57 (2), 170-189, 2017 | 50 | 2017 |
| Simulating water exchange to buried binding sites IY Ben-Shalom, C Lin, T Kurtzman, RC Walker, MK Gilson Journal of chemical theory and computation 15 (4), 2684-2691, 2019 | 39 | 2019 |
| AMBER 20182018University of California DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... San Francisco, 0 | 34 | |
| Amber 2020, 2020 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, TEI Cheatham, ... Google Scholar There is no corresponding record for this reference, 2019 | 31 | 2019 |
| AmberTools21 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, S Brozell, D Cerutti, ... University of California: San Francisco, CA, USA, 2021 | 30 | 2021 |
| Accounting for the central role of interfacial water in protein–ligand binding free energy calculations IY Ben-Shalom, Z Lin, BK Radak, C Lin, W Sherman, MK Gilson Journal of chemical theory and computation 16 (12), 7883-7894, 2020 | 27 | 2020 |
| AMBER2020, university of California, San Fransisco DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham, ... J. Amer. Chem. Soc 142, 3823-3835, 2020 | 27 | 2020 |
| Native metabolomics identifies the rivulariapeptolide family of protease inhibitors R Reher, AT Aron, P Fajtová, P Stincone, B Wagner, AI Pérez-Lorente, ... Nature communications 13 (1), 4619, 2022 | 26 | 2022 |
| Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo TD Bergazin, IY Ben-Shalom, NM Lim, SC Gill, MK Gilson, DL Mobley Journal of computer-aided molecular design 35 (2), 167-177, 2021 | 26 | 2021 |
| Kollman DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... PA, AMBER 8, 2023 | 23 | 2023 |
| Rigidity theory-based approximation of vibrational entropy changes upon binding to biomolecules H Gohlke, IY Ben-Shalom, H Kopitz, S Pfeiffer-Marek, KH Baringhaus Journal of chemical theory and computation 13 (4), 1495-1502, 2017 | 18 | 2017 |
| Fast equilibration of water between buried sites and the bulk by molecular dynamics with parallel Monte Carlo water moves on graphical processing units IY Ben-Shalom, C Lin, BK Radak, W Sherman, MK Gilson Journal of chemical theory and computation 17 (12), 7366-7372, 2021 | 16 | 2021 |
| MC and PA Kollman SZDA Case, HM Aktulga, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... Amber, 2021 | 10 | 2021 |
| Mermelstein, KM Merz, Y DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... Miao, G. Monard, C. Nguyen, H. Nguyen, I. Omelyan, A. Onufriev, F. Pan R, Qi …, 2018 | 10 | 2018 |
| Amber 2021; 2021 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 9 | 2021 |
| Amber 2019, 2019 D Case, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, V Cruzeiro III, ... University of California, San Francisco, 0 | 9 | |
| TEC, Cruzeiro VWD, et al DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti III Amber, 2018 | 8 | 2018 |
