Receptor-based 3D QSAR analysis of estrogen receptor ligands - Merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 6, 2000, Pages 559-572

  Sippl, Wolfgang ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

3D QSAR; AutoDock; CoMFA; Docking; Estrogen receptor; GOLPE; GRID; Prediction of binding affinity

Indexed keywords

ALIGNMENT; BINDING ENERGY; COMPLEXATION; COMPUTATIONAL CHEMISTRY; COMPUTATIONAL EFFICIENCY; LIGANDS; PHOTOCATALYSIS;

3D QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; AUTODOCK; BINDING AFFINITIES; COMFA; DOCKING; ESTROGEN RECEPTOR; GOLPE; GRID; PREDICTION OF BINDING AFFINITY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

FORECASTING;

17ALPHA ESTRADIOL; 4 HYDROXYTAMOXIFEN; 4,4' ISOPROPYLIDENEDIPHENOL; COUMESTROL; DIETHYLSTILBESTROL; ESTRADIOL; ESTROGEN RECEPTOR; ESTRONE; GENISTEIN; HEXESTROL; LIGAND;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; CONTROLLED STUDY; DRUG DESIGN; ENERGY; LIGAND BINDING; METHODOLOGY; MODEL; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

EID: 0033949276     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008115913787     Document Type: Article

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