Structural Differences In 3C-like protease (Mpro) From SARS-CoV and SARS-CoV-2: Molecular Insights For Drug Repurposing Against COVID-19 Revealed by Molecular Dynamics Simulations.
Meet Parmar, Ritik Thumar, Bhumi Patel, Mohd Athar, Prakash Chandra Jha, Dhaval Patel
This paper compares SARS-CoV-2 and SARS-CoV Mpro using molecular dynamics simulations to assess structural differences and their impact on drug repurposing for COVID-19.
bioRxiv · Aug 11, 2021 · PreprintBioinformatics