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Specific interactions between androgen receptor and its ligand: ab initio molecular orbital calculations in water

Ittetsu Kobayashi1, Ryosuke Takeda1, Rie Suzuki1

  • 1Department of Computer Science and Engineering, Toyohashi University of Technology, Tempaku-cho, Toyohashi, Aichi, 441-8580, Japan.

Journal of Molecular Graphics & Modelling
|June 23, 2017
PubMed

Keywords:
Androgen receptorAntagonistFragment molecular orbitalMolecular simulationNon-steroid compoundSpecific interactions

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