X-ray crystallographic structures as a source of ligand alignment in 3D-QSAR

Journal of Chemical Information and Modeling

Volumn 53, Issue 6, 2013, Pages 1406-1414

  Urniaż, Rafał D ^a   Jóźwiak, Krzysztof ^a  

^a MEDICAL UNIVERSITY OF LUBLIN   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT; CONFORMATIONS; LIGANDS; MOLECULAR GRAPHICS; MOLECULAR ORIENTATION; X RAY CRYSTALLOGRAPHY; X RAYS;

COMPARATIVE MOLECULAR FIELD ANALYSIS; CRYSTALLOGRAPHIC INFORMATION; CRYSTALLOGRAPHIC STUDIES; MATHEMATICAL REPRESENTATIONS; PHARMACOLOGICAL PROPERTIES; STATISTICAL SIGNIFICANCE; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR); X-RAY CRYSTALLOGRAPHIC STRUCTURES;

COMPUTATIONAL CHEMISTRY;

AMPA RECEPTOR; DRUG; LIGAND; PROTEIN BINDING;

ANIMAL; BINDING SITE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DOCKING; PHARMACOLOGY; PROTEIN DATABASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY; ARTICLE; PROTEIN BINDING;

ANIMALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PHARMACEUTICAL PREPARATIONS; PHARMACOLOGY; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, AMPA;

EID: 84879592971     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400004e     Document Type: Article

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