A Molecular Orbital Study on the Ternary Complex of Tetranactin, NH^+_4 and SCN^-
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概要
- 論文の詳細を見る
The ternary complex of tetranactin, NH^+_4 and SCN^- was studied from an ab initio quantum chemical point of view. When NH^+_4 is inserted into tetranactin, the interaction energy is -109.0 kcal/mol. When SCN^- interacts with the tetranactin-NH^+_4 complex, the interaction energy is -49.4 kcal/mol. This value isalmost entirely due to the electrostatic interaction between SCN^- and NH^+_4. Therefore the interaction energy on ternary complex formation will be over -158.4 kcal/mol. The ternary complex of tetranactin, NH^+_4 and an uncoupler such as picric acid or SF6847 should be similar.
- 公益社団法人日本薬学会の論文
- 1979-10-25
著者
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梅山 秀明
School of Pharmaceutical Sciences, Kitasato University
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梅山 秀明
School Of Pharmaceutical Sciences Kitasato University
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野本 智子
School Of Pharmaceutical Sciences Kitasato University
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