Insight into Crystal Structures and Identification of Potential Styrylthieno[2,3-B]pyridine-2-carboxamidederivatives Against COVID-19 Mpro Through Structure-Guided Modeling and Simulation Approach.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS（2024）
关键词
Styrylthieno[2,3-b]pyridine-2-carboxamide,QTAIM,NLO,AIM analysis,molecular docking,ADMET,molecular dynamics
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