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Journal of Chemical Theory and Computation|April 24, 2023
WaterKit: Thermodynamic Profiling of Protein Hydration SitesJerome Eberhardt, Stefano ForliJournal of Chemical Information and Modeling|January 31, 2015
A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhAAlexander L Perryman, Weixuan Yu, Xin Wang, et al.Journal of Chemical Theory and Computation|February 28, 2020
Charting Hydrogen Bond AnisotropyDiogo Santos-Martins, Stefano ForliJournal of Molecular Biology|January 26, 2010
A dynamic model of HIV integrase inhibition and drug resistanceAlex L Perryman, Stefano Forli, Garrett M Morris, et al.Journal of Computer-Aided Molecular Design|March 6, 2014
Blind prediction of HIV integrase binding from the SAMPL4 challengeDavid L Mobley, Shuai Liu, Nathan M Lim, et al.The Journal of Physical Chemistry. B|September 6, 2014
Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV proteaseNanjie Deng, Stefano Forli, Peng He, et al.Journal of Medicinal Chemistry|October 27, 2015
Targeting Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MAPKAPK2, MK2): Medicinal Chemistry Efforts To Lead Small Molecule Inhibitors to Clinical TrialsMario Fiore, Stefano Forli, Fabrizio ManettiJournal of Molecular Biology|July 17, 2018
Perspectives on Structural Molecular Biology Visualization: From Past to PresentArthur J OlsonJournal of Computer-Aided Molecular Design|March 9, 2022
Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsidQinfang Sun, Avik Biswas, R S K Vijayan, et al.Communications Chemistry|March 23, 2025
A quantitative analysis of ligand binding at the protein-lipid bilayer interfaceAllison Pearl Barkdull, Matthew Holcomb, Stefano ForliPageof 18