Investigation of the Ergopeptide Epimerization Process

Ergopeptides, like ergocornine and a-ergocryptine, exist in an S- and in an R-configuration. Kinetic experiments imply that certain configurations are preferred depending on the solvent. The experimental methods are explained in this article. Furthermore, computational methods are used to understand...

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Bibliographic Details
Main Authors: Karsten Andrae, Stefan Merkel, Vedat Durmaz, Konstantin Fackeldey, Robert Köppen, Marcus Weber, Matthias Koch
Format: Article
Language:English
Published: MDPI AG 2014-08-01
Series:Computation
Subjects:
Online Access:http://www.mdpi.com/2079-3197/2/3/102