In-silico Guided Design, Screening, and Molecular Dynamic Simulation Studies for the Identification of Potential SARS-CoV-2 Main Protease Inhibitors for the Targeted Treatment of COVID-19
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS（2024）
Key words
COVID-19,SARS-CoV-2,main protease,molecular docking,molecular dynamics simulations,protease inhibitors,rational drug design,aza-peptide epoxides,suicide inhibitors,peptidomimetics
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