Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands an application of fragment molecular orbital method

Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands : an application of fragment molecular orbital method

We have theoretically examined the relative binding affinities (RBA) of typical ligands, 17beta-estradiol (EST), 17alpha-estradiol (ESTA), genistein (GEN), raloxifene (RAL), 4-hydroxytamoxifen (OHT), tamoxifen (TAM), clomifene (CLO), 4-hydroxyclomifene (OHC), diethylstilbestrol (DES), bisphenol A (B...

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Veröffentlicht in:Journal of computational chemistry. - 1984. - 26(2005), 1 vom: 15. Jan., Seite 1-10
1. Verfasser: Fukuzawa, Kaori (VerfasserIn)
Weitere Verfasser: Kitaura, Kazuo, Uebayasi, Masami, Nakata, Kotoko, Kaminuma, Tsuguchika, Nakano, Tatsuya
Format: Aufsatz
Sprache:English
Veröffentlicht: 2005
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Estrogen Receptor alpha Ligands