Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations

Journal of the American Chemical Society

Volumn 124, Issue 39, 2002, Pages 11758-11763

  McCoy, Mark A ^a   Wyss, Daniel F ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS;

COMPLEXATION; ELECTRONS; NUCLEAR MAGNETIC RESONANCE; PERTURBATION TECHNIQUES; PROTEINS; X RAY CRYSTALLOGRAPHY;

CURRENT DENSITY;

HELICASE; PROTEINASE;

ARTICLE; BINDING SITE; CALCULATION; COMPLEX FORMATION; DENSITY; DIPOLE; ELECTRON; LIGAND BINDING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; SURFACE PROPERTY; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN BINDING; VIRAL NONSTRUCTURAL PROTEINS;

EID: 0037009985     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja026166c     Document Type: Article

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