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Trends in Pharmacological Sciences|November 6, 2020
Selective and Effective: Current Progress in Computational Structure-Based Drug Discovery of Targeted Covalent InhibitorsGiulia Bianco, David S Goodsell, Stefano ForliMbio|March 14, 2019
Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding PocketPierrick Craveur, Anna T Gres, Karen A Kirby, et al.Topics in Current Chemistry|April 9, 2013
Molecular modeling approaches to study the binding mode on tubulin of microtubule destabilizing and stabilizing agentsMaurizio Botta, Stefano Forli, Matteo Magnani, et al.RSC Medicinal Chemistry|February 23, 2024
Consensus screening for a challenging target: the quest for P-glycoprotein inhibitorsPaolo Governa, Marco Biagi, Fabrizio Manetti, et al.Methods in Molecular Biology (Clifton, N.J.)|January 26, 2015
Small-molecule library screening by docking with PyRxSargis Dallakyan, Arthur J OlsonJournal of Computational Chemistry|June 6, 2009
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingOleg Trott, Arthur J OlsonJournal of Computational Chemistry|August 23, 2019
AutoGridFR: Improvements on AutoDock Affinity Maps and Associated Software ToolsYuqi Zhang, Stefano Forli, Anna Omelchenko, et al.Journal of Chemical Information and Modeling|June 14, 2021
Improving Docking Power for Short Peptides Using Random ForestMichel F Sanner, Leonard Dieguez, Stefano Forli, et al.Communications Chemistry|August 13, 2025
Structure-based rational design of covalent probesMatthew Holcomb, Manuel Llanos, Althea Hansel-Harris, et al.The Journal of Biological Chemistry|March 21, 2021
Icosahedral virus structures and the protein data bankJohn E Johnson, Arthur J OlsonPageof 18