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J-GLOBAL ID:201902232455216486   Reference number:19A0880882

Effect of Atomic Charges on Octanol-Water Partition Coefficient Using Alchemical Free Energy Calculation

化学自由エネルギー計算を用いたオクタノール-水分配係数に及ぼす原子電荷の影響【JST・京大機械翻訳】
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Volume: 23  Issue:Page: 425  Publication year: 2018 
JST Material Number: U7014A  ISSN: 1420-3049  CODEN: MOLEFW  Document type: Article
Article type: 原著論文  Country of issue: Switzerland (CHE)  Language: ENGLISH (EN)
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The octanol-water partition co...
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Enzyme in general  ,  Pyridines 
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