LIBSA - A method for the determination of ligand-binding preference to allosteric sites on receptor ensembles

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 530-538

  Hocker, Harrison J ^a   Rambahal, Nandini ^a   Gorfe, Alemayehu A ^a  

^a UNIVERSITY OF TEXAS MEDICAL SCHOOL   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IMAGE SEGMENTATION; LIGANDS; SIGNAL TO NOISE RATIO;

ALLOSTERIC SITE; FILTERING ALGORITHM; LIGAND-BINDING SITES; POTENTIAL BINDING SITES; RECEPTOR FLEXIBILITY; REGION OF INTEREST; RELATIVE BINDING; SINGLE BINDING SITES;

BINDING SITES;

APOPROTEIN; LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMISTRY; CRYSTALLIZATION; DRUG DEVELOPMENT; ENZYME SPECIFICITY; METABOLISM; METHODOLOGY; MOLECULAR DOCKING; MOLECULAR LIBRARY; PROTEIN CONFORMATION;

ALLOSTERIC SITE; APOPROTEINS; CRYSTALLIZATION; DRUG DISCOVERY; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; PROTEINS; SMALL MOLECULE LIBRARIES; SUBSTRATE SPECIFICITY;

EID: 84894666656     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400474u     Document Type: Article

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