GROMACS Development - Our group is responsible for 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.
Integrative Structural Biology - Structure, function, and simulation methods are applied to characterize biomolecules, with a frequent focus on allosteric modulation of ligand-gated ion channels.