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    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

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

    Published 2021-04-01
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