Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules
利用共识深度对接技术,自动发现SARS-CoV-2主蛋白酶的非共价抑制剂,该技术对400亿个小分子进行了分析。
期刊:Chemical Science
影响因子:7.4
doi:10.1039/d1sc05579h
Gentile, Francesco; Fernandez, Michael; Ban, Fuqiang; Ton, Anh-Tien; Mslati, Hazem; Perez, Carl F; Leblanc, Eric; Yaacoub, Jean Charle; Gleave, James; Stern, Abraham; Wong, Bill; Jean, François; Strynadka, Natalie; Cherkasov, Artem