Theoretische Untersuchungen an biomimetischen Modellen der Galactose Oxidase

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The subject of the proposed research project is the theoretical investigation of biomimetic models of the enzyme galactose oxidase using ab-initio methods. The creation and experimental investigation of fairly small systems that mimic the reaction center of a natural enzyme are currently highly active fields in Bioorganic and Bioinorganic Chemistry. The idea behind these efforts is a better understanding of the specificity and selectivity of natural enzymes but also the design of new catalysts for chemical synthesis. The goal of the proposed project is to assist the design and improvement of such model catalysts with theoretical investigations which are capable of screening the geometric and electronic structure of possible variants much easier than experiments which depend on multistep syntheses.