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Proposing Institution

Assistant Professorship Computergestützte Biokatalyse,TUM
Project Manager

Sophie Mader
Lichtenbergstraße 4
85748 Garching
Abstract
Designing new enzymes is a grand challenge for modern biochemistry, and thereare currently only a few examples of man-made enzymes where significantcatalytic rate-accelerations have been achieved.We have developed a new computational method for computational enzyme design.By mimicking evolution in nature, we mutate amino acids using a MetropolisMonte Carlo (MC) procedure, which is combined with a hybrid quantummechanics/classical mechanics (QM/MM) method to probe catalytic activities ofenzymes. In addition to catalytic properties, our method can also be employed fortuning light-capturing properties or redox potentials of proteins.

Impressum, Conny Wendler