[ASAP] Profiling SARS-CoV-2 Main Protease (M < sup > PRO < /sup > ) Binding to Repurposed Drugs Using Molecular Dynamics Simulations in Classical and Neural Network-Trained Force Fields

ACS Combinatorial ScienceDOI: 10.1021/acscombsci.0c00140

Source: ACS Combinatorial Science - October 29, 2020 Category: Chemistry Authors: Aayush Gupta and Huan-Xiang Zhou Source Type: research