Computational Biomolecular Dynamics
The group studies the relationship between dynamics and function of biological macromolecules at the atomic level using computer simulations. Modern, sophisticated techniques are employed to follow the motions of atoms and molecules at timescales of femtoseconds to microseconds, thereby providing insight into the functional mechanism of e.g. enzymesand transport proteins. The main research focus lies on permeation events in membrane channels like aquaporins or gramicidin, collective and functionally essential modes of motion in enzymes, and the development of novel simulation techniques as an alternative to conventional simulation methods.