Steffen Docter

Transaminases are enzymes used in the pharmaceutical and fine chemical industry to produce chiral amines. We apply molecular dynamics simulations, protein rigidity analysis via Constraint Network Analysis (https://cpclab.uni-duesseldorf.de/index.php/Software) and machine learning algorithms for computational engineering of the enzymes. We focus on improving thermostability, solvent tolerance, promiscuity, and substrate specific activity, aiming to design transaminases with improved performance in potential industrial applications.