Validation of the use of intermolecular NOE constraints for obtaining docked structures of protein-ligand complexes

Journal of Biomolecular NMR

Volumn 7, Issue 1, 1996, Pages 48-58

  Gradwell, Michael J ^a   Feeney, James ^a  

^a NATIONAL INSTITUTE FOR MEDICAL RESEARCH   (United Kingdom)

Author keywords

Accuracy; Docking; NOE; Precision; R 6 averaging; Rigid body dynamics; Simulated annealing

Indexed keywords

LIGAND; PROTEIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; METABOLISM; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; THERMODYNAMICS;

EID: 0029715474     PISSN: 09252738     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00190456     Document Type: Article

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