Presentation topic
Dissecting the effect of intra- and intermolecular interactions on conformational dynamics
Research Focus
We are using molecular simulations at various levels to explore the underlying interplay of dynamics, interaction, and reactivity in biological macro-molecules and their complexes as well as small (model compound or drug) molecules. Among the current applications are DNA-repair, regulation and signal transduction in protein complexes, as well as (self) aggregation and transport of small molecules.
