Knowledge-Based Strategy to Improve Ligand Pose Prediction Accuracy for Lead Optimization

Journal of Chemical Information and Modeling

Volumn 55, Issue 7, 2015, Pages 1460-1468

  Gao, Cen ^a   Thorsteinson, Nels ^b   Watson, Ian ^a   Wang, Jibo ^a   Vieth, Michal ^a  

^a ELI LILLY AND COMPANY   (United States)

^b INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; KNOWLEDGE BASED SYSTEMS; LIGANDS; MOLECULES; PROTEINS; X RAYS;

ITS APPLICATIONS; KNOWLEDGE BASED STRATEGIES; LEAD OPTIMIZATION; MEDICINAL CHEMISTRY; POSE PREDICTIONS; RAY COORDINATES; RELATED COMPOUNDS; STRUCTURE BASED DRUG DESIGNS;

FORECASTING;

CYCLIC AMP DEPENDENT PROTEIN KINASE; LIGAND;

CHEMISTRY; DRUG DESIGN; MACHINE LEARNING; METABOLISM; MOLECULAR DOCKING; PROCEDURES; PROTEIN CONFORMATION; PROTEIN DATABASE;

CYCLIC AMP-DEPENDENT PROTEIN KINASES; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MACHINE LEARNING; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION;

EID: 84938055631     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00186     Document Type: Article

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