Use of binding energy in comparative molecular field analysis of isoform selective estrogen receptor ligands

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 1, 2004, Pages 23-38

  Wolohan, Peter ^a   Reichert, David E ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

Binding energy; CoMFA; Estrogen; Subtype selective

Indexed keywords

ESTROGEN RECEPTOR LIGANDS; LIGAND-BINDING DOMAIN (LBD); MOLECULAR FIELD ANALYSIS; RELATIVE BINDING AFFINITIES (RBA);

GASES; HORMONES; LEAST SQUARES APPROXIMATIONS; PROTEINS; SOLUTIONS;

MOLECULAR DYNAMICS;

17ALPHA ESTRADIOL; 4 HYDROXYTAMOXIFEN; ANDROSTANOLONE; ANDROSTENEDIOL; DIENESTROL; DIETHYLSTILBESTROL; ESTRADIOL; ESTROGEN RECEPTOR; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; GENISTEIN; LIGAND; METHOXYCHLOR; NORETHISTERONE; TAMOXIFEN; TESTOSTERONE;

ARTICLE; BINDING AFFINITY; COMPARATIVE MOLECULAR FIELD ANALYSIS; ENERGY; LIGAND BINDING; MATHEMATICAL COMPUTING; MODEL; PRIORITY JOURNAL; PROTEIN INTERACTION;

BINDING SITES; ESTRADIOL; ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; LIGANDS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN ISOFORMS; THERMODYNAMICS;

EID: 4344631296     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.03.002     Document Type: Article

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