Yamaguchi Prefectural University BULLETIN of Faculty of Human Life Sciences

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Yamaguchi Prefectural University BULLETIN of Faculty of Human Life Sciences Volume 31
published_at 2005

Molecular Simulation on Interaction of Polychlorodibenzodioxine and Cyclodextrins

シクロデキストリンによるダイオキシンの包接効果に関する分子科学的シミュレーション
Ihara Yasuji
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Descriptions
Molecular mechanics (MM) and molecular dynamics (MD) simulations served to investigate the interaction of 2,3,7,8-tetrachlorodibenzodioxin (PCDD) and cyclodextrins (CD) in gas phase and water model.α-, β-, γ-CD were used for the complex formation in…