| AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings J Eberhardt, D Santos-Martins, AF Tillack, S Forli Journal of Chemical Information and Modeling 61 (8), 3891–3898, 2021 | 2719 | 2021 |
| Computational protein–ligand docking and virtual drug screening with the AutoDock suite S Forli, R Huey, ME Pique, MF Sanner, DS Goodsell, AJ Olson Nature protocols 11 (5), 905-919, 2016 | 1999 | 2016 |
| Proteome-wide covalent ligand discovery in native biological systems KM Backus, BE Correia, KM Lum, S Forli, BD Horning, GE González-Páez, ... Nature 534 (7608), 570-574, 2016 | 781 | 2016 |
| Virtual screening with AutoDock: theory and practice S Cosconati, S Forli, AL Perryman, R Harris, DS Goodsell, AJ Olson Expert opinion on drug discovery 5 (6), 597-607, 2010 | 715 | 2010 |
| AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility PA Ravindranath, S Forli, DS Goodsell, AJ Olson, MF Sanner PLoS computational biology 11 (12), e1004586, 2015 | 444 | 2015 |
| Global profiling of lysine reactivity and ligandability in the human proteome SM Hacker, KM Backus, MR Lazear, S Forli, BE Correia, BF Cravatt Nature chemistry 9 (12), 1181-1190, 2017 | 404 | 2017 |
| Using AutoDock 4 and AutoDock vina with AutoDockTools: a tutorial R Huey, GM Morris, S Forli The Scripps Research Institute Molecular Graphics Laboratory 10550 (92037), 1000, 2012 | 374 | 2012 |
| A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking S Forli, AJ Olson Journal of medicinal chemistry 55 (2), 623-638, 2012 | 327 | 2012 |
| AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins D Santos-Martins, S Forli, MJ Ramos, AJ Olson Journal of chemical information and modeling 54 (8), 2371-2379, 2014 | 258 | 2014 |
| “Inverse drug discovery” strategy to identify proteins that are targeted by latent electrophiles as exemplified by aryl fluorosulfates DE Mortenson, GJ Brighty, L Plate, G Bare, W Chen, S Li, H Wang, ... Journal of the American Chemical Society 140 (1), 200-210, 2018 | 257 | 2018 |
| An activity-guided map of electrophile-cysteine interactions in primary human T cells EV Vinogradova, X Zhang, D Remillard, DC Lazar, RM Suciu, Y Wang, ... Cell 182 (4), 1009-1026. e29, 2020 | 245 | 2020 |
| Structure, lipid scrambling activity and role in autophagosome formation of ATG9A S Maeda, H Yamamoto, LN Kinch, CM Garza, S Takahashi, C Otomo, ... Nature structural & molecular biology 27 (12), 1194-1201, 2020 | 244 | 2020 |
| Accelerating AutoDock4 with GPUs and Gradient-Based Local Search D Santos-Martins, L Solis-Vasquez, AF Tillack, MF Sanner, A Koch, S Forli Journal of chemical theory and computation 17 (2), 1060-1073, 2021 | 227 | 2021 |
| Covalent docking using autodock: Two‐point attractor and flexible side chain methods G Bianco, S Forli, DS Goodsell, AJ Olson Protein Science 25 (1), 295-301, 2016 | 208 | 2016 |
| 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 | 171 | 2020 |
| SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase Q Zheng, JL Woehl, S Kitamura, D Santos-Martins, CJ Smedley, G Li, ... Proceedings of the National Academy of Sciences 116 (38), 18808-18814, 2019 | 161 | 2019 |
| The AutoDock suite at 30 DS Goodsell, MF Sanner, AJ Olson, S Forli Protein Science 30 (1), 31-43, 2021 | 127 | 2021 |
| Expedited mapping of the ligandable proteome using fully functionalized enantiomeric probe pairs Y Wang, MM Dix, G Bianco, JR Remsberg, HY Lee, M Kalocsay, SP Gygi, ... Nature chemistry 11 (12), 1113-1123, 2019 | 119 | 2019 |
| Structural basis for strand-transfer inhibitor binding to HIV intasomes DO Passos, M Li, IK Jóźwik, XZ Zhao, D Santos-Martins, R Yang, SJ Smith, ... Science 367 (6479), 810-814, 2020 | 91 | 2020 |
| Charting a path to success in virtual screening S Forli Molecules 20 (10), 18732-18758, 2015 | 88 | 2015 |
Arthur OlsonProfesssor The Scripps Research InstituteVerified email at scripps.edu
