Ligand binding mode prediction by docking: Mdm2/Mdmx inhibitors as a case study

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 648-659

  Bharatham, Nagakumar ^a   Bharatham, Kavitha ^a   Shelat, Anang A ^a   Bashford, Donald ^a  

^a ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DIAGNOSIS;

CANCER THERAPEUTICS; DOCKING ALGORITHMS; DOCKING PROCEDURES; LIGAND BINDING MODE; NEGATIVE REGULATORS; STRUCTURAL INFORMATION; TUMOR SUPPRESSORS; VIRTUAL SCREENING;

PIPELINES;

IMIDAZOLE DERIVATIVE; LIGAND; PROTEIN MDM2;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG SCREENING; IC 50; METABOLISM; METHODOLOGY; MOLECULAR DOCKING; PROTEIN BINDING; PROTEIN CONFORMATION; TIME; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; IMIDAZOLES; INHIBITORY CONCENTRATION 50; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTO-ONCOGENE PROTEINS C-MDM2; TIME FACTORS; USER-COMPUTER INTERFACE;

EID: 84894655792     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4004656     Document Type: Article

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