Environment induced folding

We carry out atomistic and coarse grained studies of environmentally driven folding. Amphiphilic peptides respond to the presence of interfaces, pH-changes or other changes in the solution composition by conformational transitions. Such peptides are for example initially designed  as cell penetrating agents for drug targeting. Atomistic simulation studies can accompany experiments from collaborators to understand the driving forces for different folds and folding transitions. Moreover we investigate how coarse grained models can be designed such that they reproduce such responses to environment changes.