Comparative analysis of various electrostatic potentials on docking precision against cyclin-dependent kinase 2 protein: A multiple docking approach

Chemical Biology and Drug Design

Volumn 85, Issue 2, 2015, Pages 107-118

  Tripathi, Sunil K ^a   Soundarya, Rajendran Naga ^a   Singh, Poonam ^b   Singh, Sanjeev K ^a  

^a ALAGAPPA UNIVERSITY   (India)

^b CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

ab initio method; atomic charges; MM GBSA; QM MM docking; semiempirical method

Indexed keywords

CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 2 INHIBITOR; LIGAND; ADENOSINE TRIPHOSPHATE; CDK2 PROTEIN, HUMAN; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATION; CRYSTAL STRUCTURE; DRUG DESIGN; HINGE REGION; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; ANTAGONISTS AND INHIBITORS; CHEMISTRY; COMPARATIVE STUDY; HUMAN; METABOLISM; STATIC ELECTRICITY; THERMODYNAMICS;

ADENOSINE TRIPHOSPHATE; BINDING SITES; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; HUMANS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84920989305     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12376     Document Type: Article

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