GROMACS Development - Our group is responsible forĀ a versatile software package enabling researchers worldwide to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
Wetting, flow & pH - This project studies molecular processes in dynamic wetting, including how they affect larger-scale systems and interface with theoretical models.
Membrane-Protein Modeling - The Delemotte Lab models the molecular basis for excitability and signal transduction in membrane proteins, as well as developing new protocols for sampling and analysis of molecular dynamics.
Cryo-Electron Microscopy - Several projects in this group involve the development of sample preparation, data collection and analysis, and software tools for single-particle cryo-electron microscopy and tomography.
Ligand-Gated Ion Channels - Structure, function, and simulation methods are applied to characterize pentameric ligand-gated ion channels, particularly their modulation by allosteric drugs such as alcohol, anesthetics, or insecticides.
Skin Drug Delivery - Using cryo-electron microscopy data as a reference, molecular dynamics simulations are utilized in order to model the formation process of human skin, and to study the final barrier structure.