Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV-2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism. - Pabitra Narayan Samanta; Devashis Majumdar; Jerzy Leszczynski (J. Chem. Inf. Model., 2023)