Enzymatic Catalysis and Protein Engineering

The INDOX proposal on industrial oxidoreductases aimed to provide relevant industrial case stories to demonstrate the efficacy of optimized biocatalysts on targeted reactions, and to establish the processes scalability, sustainability and cost-efficiency versus chemical conversion processes. The chemical industry (specialties excluded) is not yet embracing enzymatic oxidation...

The objective of this project was to develop computational models of ink mixtures. Using different computational approaches, including atomistic and coarse-grain molecular dynamics, our in-house Protein Energy Landscape Exploration (PELE) technique and mixed quantum mechanics and molecular mechanics (QM/MM) methods, the stability of several ink mixtures in adverse...