Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 777-787

  Planesas, Jesús M ^b   Claramunt, Rosa M ^b   Teixidó, Jordi ^a   Borrell, José I ^a   Pérez Nueno, Violeta I ^a  

^a INSTITUT QUÍMIC DE SARRIÀ   (Spain)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY;

BINDING AFFINITIES; CHEMICAL DATABASE; COGNATE LIGANDS; MOLECULAR SIMILARITY; SCORING FUNCTIONS; SIMILARITY SEARCH; STRUCTURE-BASED; VIRTUAL SCREENING;

PHARMACODYNAMICS;

ENZYME INHIBITOR; LIGAND; VASCULOTROPIN RECEPTOR 2;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG SCREENING; FACTUAL DATABASE; METABOLISM; METHODOLOGY; MOLECULAR LIBRARY; PROTEIN BINDING; RECEIVER OPERATING CHARACTERISTIC; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; ROC CURVE; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP; VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR-2;

EID: 79955388686     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1002763     Document Type: Article

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