Consensus scoring approach to identify the inhibitors of AMP-activated protein kinase α2 with virtual screening

Journal of Chemical Information and Modeling

Volumn 54, Issue 7, 2014, Pages 2139-2146

  Park, Hwangseo ^a   Eom, Jae Won ^a   Kim, Yang Hee ^a  

^a Sejong University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYMES; FREE ENERGY; HYDROGEN BONDS; HYDROPHOBICITY; LIGANDS; SOLVATION;

AMP-ACTIVATED PROTEIN KINASE; ATP BINDING POCKETS; DOCKING SIMULATIONS; HYDROPHOBIC INTERACTIONS; INHIBITORY ACTIVITY; PROTEIN-LIGAND BINDING AFFINITIES; PROTEIN-LIGAND DOCKING; SMALL MOLECULE INHIBITOR;

BINDING ENERGY;

HYDROXYMETHYLGLUTARYL COENZYME A REDUCTASE KINASE; LIGAND; PROTEIN BINDING; PROTEIN KINASE INHIBITOR;

ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG DESIGN; DRUG SCREENING; METABOLISM; MOLECULAR DOCKING; PROTEIN CONFORMATION; THERMODYNAMICS;

AMP-ACTIVATED PROTEIN KINASES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; THERMODYNAMICS;

EID: 84905020680     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500214e     Document Type: Article

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