A reverse combination of structure-based and ligand-based strategies for virtual screening

Journal of Computer-Aided Molecular Design

Volumn 26, Issue 3, 2012, Pages 319-327

  Cortés Cabrera, Álvaro ^a,b   Gago, Federico ^a   Morreale, Antonio ^b  

^a UNIVERSITY OF ALCALÁ   (Spain)

^b CENTRO DE BIOLOGÍA MOLECULAR SEVERO OCHOA   (Spain)

Author keywords

Docking; Drug design; Fragment screening; Ligand based virtual screening; Structure based virtual screening

Indexed keywords

QUERY LANGUAGES; SITE SELECTION;

COMBINATIONS OF STRUCTURES; DOCKING; DRUG DESIGN; FRAGMENT SCREENING; LIGAND-BASED VIRTUAL SCREENING; NEW APPROACHES; STRUCTURE-BASED; STRUCTURE-BASED VIRTUAL SCREENING; VIRTUAL SCREENING;

LIGANDS;

ZINC;

ARTICLE; COMPUTER MODEL; CONTROLLED STUDY; DATA BASE; FRAGMENT DOCKING; HIGH THROUGHPUT SCREENING; INTERMETHOD COMPARISON; LIGAND BINDING; LIGAND DOCKING; MOLECULAR DOCKING; PERFORMANCE MEASUREMENT SYSTEM; PRIORITY JOURNAL; PROCESS DESIGN; PROCESS TECHNOLOGY; QUALITY CONTROL; SCORING SYSTEM; STRUCTURE ANALYSIS; VIRTUAL REALITY;

EID: 84863097743     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9558-x     Document Type: Article

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