Q-dock: Low-resolution flexible ligand docking with pocket-specific threading restraints

Journal of Computational Chemistry

Volumn 29, Issue 10, 2008, Pages 1574-1588

  Brylinski, Michal ^a   Skolnick, Jeffrey ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Ligand docking; Low resolution docking; Pocket specific potential; Protein models; Q dock; Threading

Indexed keywords

ALL-ATOM MODELS; BINDING RESIDUES; DOCKING ACCURACY; ENERGY MINIMIZATIONS; KNOWLEDGE-BASED; LIGAND DOCKING; LOW QUALITY (LQ); LOW RESOLUTION (LR); PROTEIN MODELING; PROTEIN STRUCTURES; PROTEIN-LIGAND INTERACTIONS; RECEPTOR (IR); RECEPTOR MODELING; ROBUST METHODS; SUCCESS RATES;

ATOMIC PHYSICS; ATOMS; CRYSTAL ATOMIC STRUCTURE; DOCKS; EXPERIMENTS; FORECASTING; HYDRAULIC STRUCTURES; KNOWLEDGE BASED SYSTEMS; LIGANDS; OPTIMIZATION;

DOCKING;

CELL SURFACE RECEPTOR; LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, CHEMICAL; PROTEINS; RECEPTORS, CELL SURFACE; SOFTWARE; THERMODYNAMICS;

EID: 46449128188     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20917     Document Type: Article

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