The Computational Molecular Biology Lab (head: Frank Noé) is an interdisciplinary research unit active in the modeling and simulation of molecular processes. We have a strong profile in developing novel simulation and analysis methods, and associated software. Our current strategic focus is on questions of biomolecular association and assembly, as well as functional conformational changes. A closely collaborating team of mathematicians, chemists, physicists and software engineers, we put great emphasis on bridging the gaps between the various disciplines.

Our main research areas are

- Molecular Dynamics and the sampling problem 

- Machine learning and time series analysis

- Cellular signal transduction

- Scientific software development