Identification of Ligand Efficient, Fragment-Like Hits from an HTS Library: Structure-Based Virtual Screening and Docking Investigations of 2 H - and 3 H -Pyrazolo Tautomers for Aurora Kinase A Selectivity

Journal of Computer-Aided Molecular Design（2015）

引用 43|浏览29

关键词

Aurora kinase inhibitor,Fragment-like hit,Structure-based virtual screening,Ligand efficiency,Tautomer,Molecular obesity

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