Biomolecular simulations

Principal investigator

Research

We use a combination of coarse-grained simulations and data-driven approaches to better understand a range of biomolecular systems, including protein-lipid interactions, drug-membrane interactions, and protein-ligand binding. Specific long-term projects include a more efficient exploration of how chemical space links to biomolecular function (Emmy Noether Programme), and the use of Markov state models to better understand and control kinetic properties of coarse-grained models (TRR146).

For a detailed list of projects, see here.

Publications

List of publications on Google Scholar

See also a detailed list of publications on my personal website.