A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers.
Journal Of Biomolecular Structure & Dynamics
Rocha, Rafael E O REO; Chaves, Elton J F EJF; Fischer, Pedro H C PHC; Costa, Leon S C LSC; Grillo, Igor Barden IB; da Cruz, Luiz E G LEG; Guedes, Fabiana C FC; da Silveira, Carlos H CH; Scotti, Marcus T MT; Camargo, Alex D AD; Machado, Karina S KS; Werhli, Adriano V AV; Ferreira, Rafaela S RS; Rocha, Gerd B GB; de Lima, Leonardo H F LHF
Potential of coronavirus 3C-like protease inhibitors for the development of new anti-SARS-CoV-2 drugs: Insights from structures of protease and inhibitors.
International Journal Of Antimicrobial Agents
He, Jun J; Hu, Lijun L; Huang, Xiaojun X; Wang, Chenran C; Zhang, Zhimin Z; Wang, Ying Y; Zhang, Dongmei D; Ye, Wencai W