Docking and scoring - Theoretically easy, practically impossible?

Current Medicinal Chemistry

Volumn 13, Issue 25, 2006, Pages 2995-3003

  Coupez, B ^a   Lewis, Richard A ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

Docking; Drug discovery; Scoring; Virtual screening

Indexed keywords

ALGORITHM; BINDING SITE; BIOAVAILABILITY; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; CRYSTALLOGRAPHY; DATA BASE; DRUG RESEARCH; DRUG SCREENING; HIGH THROUGHPUT SCREENING; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; LIPOPHILICITY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR WEIGHT; MONTE CARLO METHOD; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; REVIEW; SCORING SYSTEM; SIMULATION; STEREOCHEMISTRY; STRUCTURAL GENOMICS; VIRTUAL REALITY; X RAY;

CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; LIGANDS; MODELS, CHEMICAL; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33749449880     PISSN: 09298673     EISSN: None     Source Type: Journal    
DOI: 10.2174/092986706778521797     Document Type: Review

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