Structurally Enabling ADMET Anti-Targets via Induced Fit Docking and Free Energy Perturbation
Howook Hwang(University of Massachusetts Chan Medical School), Edward B. Miller(Schrodinger (United States)), Joshua McElwee(Merck & Co., Inc., Rahway, NJ, USA (United States)), Richard A. Friesner(Columbia University), Robert Abel(Schrodinger (United States)), Andreas Verras(Schrodinger (United States)), Robert Pelletier(Schrodinger (United States)), Sébastien Campos(Pharmaron (United Kingdom)), Lewis Whitehead(Novartis (Switzerland)), Angela V. Toms, Scott D. Edmondson(Unknown), Mee Shelley(Schrodinger (United States)), Kevin R. DeMarco(Schrodinger (United States)), Andrew Placzek(Schrodinger (United States)), Justin A. Caravella(Rockefeller University Press), Peter J. Tummino(Intarcia Therapeutics (United States)), Tianchuan Xu(Schrodinger (United States)), Kyle D. Konze(University of North Carolina at Chapel Hill), Samantha Carreiro(Ensemble Therapeutics (United States)), Sung-Sau So(Schrodinger (United States)), Neelu Kaila, Sheetal Kumar(Intarcia Therapeutics (United States)), Daigo Inoyama(Schrodinger (United States)), Kevin D Kreutter(Intarcia Therapeutics (United States)), Steven K. Albanese(Schrodinger (United States))
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