Enhancing Hit Discovery in Virtual Screening through Absolute Protein–Ligand Binding Free-Energy Calculations
Wei Chen(Schrodinger (United States)), Lingle Wang(Schrodinger (United States)), Robert Abel(Schrodinger (United States)), Jérémie Vendôme(Schrodinger (United States)), Eelke B. Lenselink(Leiden University), David J. Huggins(Cornell University), Mayako Michino(Tri-Institutional Therapeutics Discovery Institute), Alexandre Beautrait(Schrodinger (United States)), Steven V. Jerome(Schrodinger (United States)), Di Cui(Schrodinger (United States)), Richard A. Friesner(Columbia University)
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