A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores.

@article{KekenesHuskey2004AMD,
  title={A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores.},
  author={Peter M. Kekenes-Huskey and Ingo Muegge and Moriz von Rauch and Ronald Gust and Ernst-Walter Knapp},
  journal={Bioorganic & medicinal chemistry},
  year={2004},
  volume={12 24},
  pages={6527-37}
}
Numerous selective estrogen receptor modulators (SERMs) have been synthesized and assayed in recent years. The focus of this study is to apply coarse-grain molecular docking procedures coupled with fine-grain all-atom force field optimization strategies to shed light on the binding mechanisms of currently available estrogen receptor-active compounds… CONTINUE READING