Surrogate AutoShim: Predocking into a universal ensemble kinase receptor for three dimensional activity prediction, very quickly, without a crystal structure

Journal of Chemical Information and Modeling

Volumn 48, Issue 4, 2008, Pages 873-881

  Martin, Eric J ^a   Sullivan, David C ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; LEAST SQUARES APPROXIMATIONS; PROTEINS;

KINASE RECEPTORS; KINASE SCREENING; PHARMACOPHORE;

ENZYME ACTIVITY;

PROTEIN KINASE;

ARTICLE; CHEMICAL STRUCTURE; ENZYME SPECIFICITY; METABOLISM; PROTEIN CONFORMATION;

MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN KINASES; SUBSTRATE SPECIFICITY;

EID: 44449170478     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700455u     Document Type: Article

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