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(Unilever (United Kingdom)), Mayako Michino(Weatherford College), 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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