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Enhancing Hit Discovery in Virtual Screening Through Absolute Protein-Ligand Binding Free-Energy Calculations.

Wei Chen,Di Cui,Steven V. Jerome,Mayako Michino,Eelke B. Lenselink,David J. Huggins,Alexandre Beautrait,Jeremie Vendome,Robert Abel,Richard A. Friesner,Lingle Wang

JOURNAL OF CHEMICAL INFORMATION AND MODELING（2023）

引用 48|浏览14
关键词
Drug Target Identification,Virtual Screening,Proteins
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