Quantitative Interpretations of Energetic Features and Key Residues at SARS Coronavirus Spike Receptor-Binding Domain and ACE2 Receptor Interface

no code implementations • 11 Mar 2021 • Yanmei Yang, Yunju Zhang, Yuanyuan Qu, Xuewei Liu, Mingwen Zhao, Yuguang Mu, Weifeng Li

Energy decomposition analyses identified three binding patches in the SARS-CoV-2 RBD and eleven key residues (Phe486, Tyr505, Asn501, Tyr489, Gln493, Leu455 and etc) which are believed to be the main targets for drug development.