Identification of Potential Inhibitors of Cathepsin‐B Using Shape & Pharmacophore‐based Virtual Screening, Molecular Docking and Explicit Water Thermodynamics
Molecular Informatics（2019）
Key words
Cathepsin-B,Glide,Shape Screening,Virtual Screening,Pharmacophore,Surflex,Molecular Dynamics,water thermodynamics,WaterMap,Inhibitors
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