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Dr. Shengfa Ye, Christoph Riplinger, Andreas Hansen, Prof. Dr. Carsten Krebs, Prof. Dr. J. Martin Bollinger Jr. and Prof. Dr. Frank Neese Electronic Structure Analysis of the Oxygen-Activation Mechanism by FeII- and α-Ketoglutarate (αKG)-Dependent Dioxygenases Chemistry - A European Journal 18

Version of Record online: 18 APR 2012 | DOI: 10.1002/chem.201102829

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Activation analysis: A detailed analysis of the electronic-structure changes that occur during oxygen activation by FeII- and α-ketoglutarate (αKG)-dependent dioxygenases has been performed (see figure). This allowed the rationalization of the distinct shapes of potential-energy surfaces with different spin multiplicities and gain insight into the biological function of cosubstrate αKG.

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