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Stefano Forli
Stefano Forli
Scripps Research, Dep. Integrative Structural Computational Biology @ForliLab
Bestätigte E-Mail-Adresse bei scripps.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
35422021
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
22652016
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
8202016
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
7652010
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
5162015
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
4572012
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
4302017
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
3502012
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
2742014
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
2702020
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
2682021
“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
2672018
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
2632020
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
2222016
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
1802020
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
1722019
The AutoDock suite at 30
DS Goodsell, MF Sanner, AJ Olson, S Forli
Protein Science 30 (1), 31-43, 2021
1572021
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
1372019
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
1002020
Charting a path to success in virtual screening
S Forli
Molecules 20 (10), 18732-18758, 2015
912015
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