Steering protein-ligand docking with quantitative NMR chemical shift perturbations

Journal of Chemical Information and Modeling

Volumn 49, Issue 10, 2009, Pages 2260-2271

  González Ruiz, Domingo ^a   Gohlke, Holger ^a,b  

^a GOETHE UNIVERSITY   (Germany)

^b HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; BINDING ENERGY; BINDING SITES; CHEMICAL SHIFT; COMPLEXATION; GLOBAL OPTIMIZATION; PROTEINS;

LEAD OPTIMIZATION; NMR CHEMICAL SHIFT PERTURBATIONS; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND DOCKING; PROTEIN-LIGAND INTERACTIONS; RANK CORRELATION COEFFICIENT; RING CURRENT EFFECTS; STRUCTURAL KNOWLEDGE;

LIGANDS;

LIGAND; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METABOLISM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING;

LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS;

EID: 70350508200     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900188r     Document Type: Article

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