Structural features of diverse ligands influencing binding affinities to estrogen α and estrogen β receptors. Part II. Molecular descriptors calculated from conformation of the ligands in the complex resulting from previous docking study

Molecular Diversity

Volumn 11, Issue 3-4, 2007, Pages 171-181

  Spreafico, Morena ^a,b   Boriani, Elena ^a,b   Benfenati, Emilio ^b   Novič, Marjana ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

Conformational analysis; Counterpropagation artificial neural network; Docking; Estrogen receptor ; Estrogen receptor ; Genetic algorithm; Selection of descriptors; Structural features

Indexed keywords

ESTROGEN; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; LIGAND; NATURAL PRODUCT; PHYTOESTROGEN;

ANALYTICAL ERROR; ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPLEX FORMATION; CONFORMATION; ESTROGEN ACTIVITY; GENETIC ALGORITHM; HORMONE RECEPTOR INTERACTION; LIGAND BINDING; METHODOLOGY; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY; VALIDATION PROCESS;

ALGORITHMS; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; EVOLUTION, MOLECULAR; HUMANS; LIGANDS; MODELS, GENETIC; MOLECULAR CONFORMATION; NEURAL NETWORKS (COMPUTER); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 41149096934     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-008-9070-3     Document Type: Article

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