发明名称 |
Method For The Determination Of Intra- And Intermolecular Interactions In Aqueous Solution |
摘要 |
The present invention relates to the determination of intra- or intermolecular interaction between molecules in aqueous solution, the method comprising the steps of: (a) determining the dehydration of all atoms in the intermolecular interface, (b) adding the vacuum hydrogen bond energy, and (c) further adding the change in the free enthalpy of the interacting partners upon their interaction. The obtained results can be used for the prediction if and to what extent two molecules of various origin fit to each other. |
申请公布号 |
US2012202699(A1) |
申请公布日期 |
2012.08.09 |
申请号 |
US201213366491 |
申请日期 |
2012.02.06 |
申请人 |
LANGE GUDRUN;KLEIN ROBERT;ALBRECHT JUERGEN;RAREY MATTHIAS;REULECKE INGO;UNIVERSITAET HAMBURG;BAYER CROPSCIENCE AG |
发明人 |
LANGE GUDRUN;KLEIN ROBERT;ALBRECHT JUERGEN;RAREY MATTHIAS;REULECKE INGO |
分类号 |
C40B30/02;G06F19/00;G06F19/16 |
主分类号 |
C40B30/02 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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