Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition

Journal of Chemical Information and Modeling

Volumn 48, Issue 7, 2008, Pages 1325-1336

  Mascarenhas, Nahren Manuel ^a   Ghoshal, Nanda ^a  

^a INDIAN INSTITUTE OF CHEMICAL BIOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; HYDROGEN BONDS;

CYCLIN-DEPENDENT KINASE; LEAVE-ONE-OUT CROSS VALIDATIONS; MECHANISTIC INTERPRETATIONS; PHYSICOCHEMICAL CHARACTERISTICS; PROTEIN-LIGAND INTERACTIONS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; STATISTICAL SIGNIFICANCE; STRUCTURAL PARAMETER;

LIGANDS;

CYCLIN DEPENDENT KINASE 4; LIGAND; PROTEIN KINASE INHIBITOR;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; MOLECULAR GENETICS; PROTEIN CONFORMATION; SEQUENCE HOMOLOGY;

AMINO ACID SEQUENCE; BINDING SITES; CYCLIN-DEPENDENT KINASE 4; LIGANDS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; SEQUENCE HOMOLOGY, AMINO ACID;

EID: 49449102281     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8000343     Document Type: Article

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