Computational Structural Biology Lab

Welcome to the Künze Lab

Research in our lab explores the structural and dynamical properties of proteins using combined computational and experimental approaches. We develop and apply molecular modeling methods such as ROSETTA, molecular dynamics simulations and machine learning with the following major goals in mind:

• Determination of the structure and dynamics of proteins and protein complexes from sparse experimental data.
• Engineering of enzymes with improved properties for biotechnological applications.
• Investigation of the molecular mechanisms of signaling in membrane proteins and their regulation by auxiliary subunits.
• Modeling of the interaction of small molecules and peptides with proteins and computer-aided discovery of new active substances.

In-silico experiments are combined with biophysical and biochemical experiments, which we pursue in our laboratory or in collaboration with other scientists. Current projects include the engineering of plastic-degrading enzymes, protein NMR spectroscopy with paramagnetic spin labels, modeling and drug discovery on proteinase-activated receptors as well as multi-scale simulations on mRNA-lipid nanoparticle therapeutics.

Please browse the menu for more information about our research.