Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM

Journal of Chemical Information and Modeling

Volumn 50, Issue 1, 2010, Pages 110-122

  Alzate Morales, Jans ^a   Caballero, Julio ^a  

^a UNIVERSIDAD DE TALCA   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

CDK2 INHIBITOR; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPUTATIONAL STUDIES; CYCLIN-DEPENDENT KINASE; DYNAMICAL BEHAVIORS; HYBRID CALCULATIONS; QM/MM CALCULATIONS; TRAINING SETS;

SCAFFOLDS;

CYCLIN DEPENDENT KINASE 2; DRUG DERIVATIVE; GUANINE; LIGAND;

ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; METABOLISM; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

BINDING SITES; COMPUTER SIMULATION; CYCLIN-DEPENDENT KINASE 2; GUANINE; HYDROGEN BONDING; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 75749153258     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900302z     Document Type: Article

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