Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

por Weng, Ying Li, Naik, Shiv Rakesh, Dingelstad, Nadia, Lugo, Miguel R., Kalyaanamoorthy, Subha, Ganesan, Aravindhan
Publicado 2021