Method for the determination of intra- and intermolecular interactions in aqueous solution

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United States of America Patent

PATENT NO 8688387
APP PUB NO 20120202699A1
SERIAL NO

13366491

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Abstract

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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.

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Patent Owner(s)

Patent OwnerAddress
BAYER CROPSCIENCE AKTIENGESELLSCHAFT40789 MONHEIM AM RHEIN

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Albrecht, Juergen Bad Camberg, DE 2 1
Klein, Robert Frankfurt, DE 63 997
Lange, Gudrun Kelkheim, DE 21 156
Rarey, Matthias Pinneberg, DE 3 6
Reulecke, Ingo Hamburg, DE 2 1

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