MCDOCK: A Monte Carlo simulation approach to the molecular docking problem

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 5, 1999, Pages 435-451

  Liu, Ming ^a   Wang, Shaomeng ^a  

^a GEORGETOWN UNIVERSITY MEDICAL CENTER   (United States)

Author keywords

Flexible ligand docking; Ligand and protein interaction; Molecular recognition; Monte Carlo simulation; Structure based drug discovery

Indexed keywords

ATOMS; BINDING ENERGY; BINDING SITES; COMPLEXATION; INTELLIGENT SYSTEMS; LEAD COMPOUNDS; MOLECULAR MODELING; MONTE CARLO METHODS; PROTEINS; SEARCH ENGINES; X RAY DIFFRACTION;

BINDING MODES; DRUG DISCOVERY; FLEXIBLE LIGAND DOCKING; FLEXIBLE LIGANDS; LIGAND DOCKING; LIGAND INTERACTIONS; MONTE CARLO'S SIMULATION; PROTEIN INTERACTION; STRUCTURE-BASED; STRUCTURE-BASED DRUG DISCOVERY;

LIGANDS;

ARTICLE; COMPUTER PROGRAM; DATA BASE; DRUG DESIGN; DRUG RECEPTOR BINDING; LIGAND BINDING; MOLECULAR INTERACTION; PRIORITY JOURNAL; SYSTEM ANALYSIS; X RAY DIFFRACTION;

EID: 0032855301     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008005918983     Document Type: Article

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