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
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A. Ganesan | M. R. Lugo | S. Kalyaanamoorthy | S. Naik | Nadia Dingelstad | Ying Li Weng | Ying Li Weng | Miguel R. Lugo