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Journal of Computer-Aided Molecular Design|February 5, 2014
Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challengeAlexander L Perryman, Daniel N Santiago, Stefano Forli, et al.Expert Opinion on Drug Discovery|May 3, 2011
Virtual Screening with AutoDock: Theory and PracticeSandro Cosconati, Stefano Forli, Alex L Perryman, et al.Faraday Discussions|September 26, 2014
3D molecular models of whole HIV-1 virions generated with cellPACKGraham T Johnson, David S Goodsell, Ludovic Autin, et al.Nature Protocols|April 15, 2016
Computational protein-ligand docking and virtual drug screening with the AutoDock suiteStefano Forli, Ruth Huey, Michael E Pique, et al.Current Topics in Medicinal Chemistry|December 2, 2014
Epothilones: From discovery to clinical trialsStefano ForliJournal of Chemical Information and Modeling|February 14, 2019
Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed NetworkJunchao Xia, William Flynn, Emilio Gallicchio, et al.Molecules (Basel, Switzerland)|October 27, 2015
Charting a Path to Success in Virtual ScreeningStefano ForliChemical Biology & Drug Design|September 4, 2013
Crystallographic fragment-based drug discovery: use of a brominated fragment library targeting HIV proteaseTheresa Tiefenbrunn, Stefano Forli, Meaghan Happer, et al.Journal of Computer-Aided Molecular Design|February 8, 2014
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challengeEmilio Gallicchio, Nanjie Deng, Peng He, et al.Journal of Chemical Information and Modeling|June 26, 2007
Lennard-Jones potential and dummy atom settings to overcome the AUTODOCK limitation in treating flexible ring systemsStefano Forli, Maurizio BottaPageof 18