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Interdisciplinaryin Silicostudies to Understand In-Depth Molecular Level Mechanism of Drug Resistance Involving NS3-4A Protease of HCV

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS(2023)

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关键词
HCV,NS3,4A protease,protease inhibitors,molecular dynamics simulation,MM-PBSA,MM-GBSA,drug resistance,substrate envelope,Residue interaction network (RIN),per-residue energy decomposition,NMA,molecular surface analysis,serine protease,principal component analysis,free energy landscape
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