Docking and high throughput docking: Successes and the challenge of protein flexibility

Current Computer-Aided Drug Design

Volumn 4, Issue 3, 2008, Pages 221-234

  Cavasotto, Claudio N ^a   Singh, Narender ^a  

^a University of Texas School of Health Information Sciences at Houston   (United States)

Author keywords

Conformational diversity; Docking; Drug discovery; High throughput docking; Induced fit; Molecular dynamics; Monte Carlo; Receptor flexibility; Scoring; Structure based drug design; Virtual screening

Indexed keywords

DIGITAL LIBRARIES; DRUG PRODUCTS; LIBRARIES; LIGANDS; PROTEINS; THROUGHPUT;

CONFORMATIONAL DIVERSITY; DOCKING; DRUG DISCOVERY; HIGH-THROUGHPUT DOCKING; INDUCED FIT; MONTE CARLO; RECEPTOR FLEXIBILITY; SCORING; STRUCTURE BASED DRUG DESIGNS; VIRTUAL SCREENING;

MOLECULAR DYNAMICS;

LIGAND; PROTEIN; RECEPTOR;

ACCURACY; COMPUTER MODEL; COMPUTER PROGRAM; CRYSTALLOGRAPHY; DRUG DESIGN; DRUG TARGETING; METHODOLOGY; MOLECULAR DOCKING; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN STRUCTURE; REVIEW; SCORING SYSTEM; SCREENING; VIRTUAL SCREENING;

EID: 54749115273     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340908785747474     Document Type: Review

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