By cofactor redesign, self-sufficient monooxygenases could be prepared. Tight binding of N-alkylated flavins to riboflavin-binding protein results in the creation of artificial flavoenzymes capable of H(2)O(2)-driven enantioselective sulfoxidations. By altering the flavin structure, opposite enantioselectivities could be achieved, in accordance with the binding mode predicted by in silico flavi...

Im ECARES-Projekt werden Methoden und Konzepte zur Unterstützung des graphbasierten Reengineerings von Telekommunikationssystemen entwickelt. Neben dem Reverse Engineering werden für verschiedene Anwendungsszenarien auch konkrete Redesign-Methoden entwickelt, die zur Veränderung der Systemsoftware führen. Hierfür sind Analysen notwendig, die dem Benutzer entsprechende RedesignVorschläge liefern...

One of the main challenges for protein redesign is the efficient evaluation of a combinatorial number of candidate structures. The modeling of protein flexibility, typically by using a rotamer library of commonly-observed low-energy side-chain conformations, further increases the complexity of the redesign problem. A dominant algorithm for protein redesign is dead-end elimination (DEE), which p...