[ASAP] Characterizing Protein –Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00781

Source: Journal of Chemical Theory and Computation - January 16, 2020 Category: Chemistry Authors: Troy W. Whitfield* †?, Debra A. Ragland‡¶, Konstantin B. Zeldovich§?, and Celia A. Schiffer*‡ Source Type: research