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

Gopichand Gutti, Yiran He,William. H. H. Coldren,Remy. F. F. Lalisse,Sarah. E. E. Border,Christopher. M. M. Hadad,Craig. A. A. McElroy,Ozlem Dogan Ekici

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS（2024）

引用 4|浏览16

关键词

COVID-19,SARS-CoV-2,main protease,molecular docking,molecular dynamics simulations,protease inhibitors,rational drug design,aza-peptide epoxides,suicide inhibitors,peptidomimetics

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要