Pabitra Narayan Samanta, Devashis Majumdar, Jerzy Leszczynski. 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. Journal of Chemical Information and Computer Sciences, 63(11):3404-3422, June 2023. [doi]
Abstract is missing.