Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 5, 2014, Pages 491-507

  Yu, Wenbo ^a   Lakkaraju, Sirish Kaushik ^a   Raman, E Prabhu ^a   MacKerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

Computer; Drug design; Enrichment; Lead discovery; Virtual screening

Indexed keywords

BINDING ENERGY; DESIGN; HYDROGEN BONDS; MOLECULES; PHARMACODYNAMICS; PROTEINS;

BINDING PATTERN; DATABASE SCREENINGS; DRUG DESIGN; ENRICHMENT; LEAD DISCOVERY; MODEL METHOD; PHARMACOPHORE MODELS; PHARMACOPHORES; SITE IDENTIFICATION; VIRTUAL SCREENING;

LIGANDS;

ALIPHATIC COMPOUND; AROMATIC COMPOUND; FUNCTIONAL GROUP; RECEPTOR; LIGAND;

ARTICLE; BINDING AFFINITY; DRUG BINDING SITE; DRUG DESIGN; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; PROCEDURES; PROTEIN STRUCTURE; SITE IDENTIFICATION BY LIGAND COMPETITIVE SATURATION; SOLVATION; VALIDITY; CHEMICAL MODEL; CLUSTER ANALYSIS;

CLUSTER ANALYSIS; DRUG DESIGN; LIGANDS; MODELS, CHEMICAL;

EID: 84904429007     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9728-0     Document Type: Article

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