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
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DOI: 10.1021/acs.jcim.3c00105
Abstract: To combat mischievous coronavirus disease followed by continuous upgrading of therapeutic strategy against the antibody-resistant variants, the molecular mechanistic understanding of protein–drug interactions is a prerequisite in the context of target-specific rational drug development. Herein,… read more here.
Keywords: energy; cov main; main protease; mechanics ... See more keywords