Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: Further evidence for multiple binding sites within the CCR5 extracellular pocket

Journal of Chemical Information and Modeling

Volumn 48, Issue 11, 2008, Pages 2146-2165

  Pérez Nueno, Violeta I ^a   Ritchie, David W ^b   Borrell, Jose I ^a   Teixidó, Jordi ^a  

^a INSTITUT QUÍMIC DE SARRIÀ   (Spain)

^b UNIVERSITY OF ABERDEEN   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; QUERY PROCESSING;

ANTIRETROVIRAL DRUGS; COMPUTATIONAL EXPERIMENT; HIV ENTRY INHIBITORS; MULTIPLE BINDING SITES; PERFORMANCE ANALYSIS; RECEIVER OPERATOR CHARACTERISTICS; SITE DIRECTED MUTAGENESIS; SPHERICAL HARMONICS;

BINDING SITES;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; CHEMOKINE RECEPTOR CCR5; CHEMOKINE RECEPTOR CXCR4; CXCR4 PROTEIN, HUMAN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CLASSIFICATION; CLUSTER ANALYSIS; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG SCREENING; HUMAN; IN VITRO STUDY; INFORMATION SCIENCE; PROTEIN CONFORMATION; STATISTICS;

ANTI-HIV AGENTS; BINDING SITES; CLUSTER ANALYSIS; DRUG EVALUATION, PRECLINICAL; HUMANS; INFORMATICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; RECEPTORS, CCR5; RECEPTORS, CXCR4; USER-COMPUTER INTERFACE;

EID: 57549116672     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800257x     Document Type: Article

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