Theory, Multiscale Simulation and Biomedical Engineering of Lipid Membranes
Out goal is to make the entire cell accessible to simulation, starting from its surface. The cell and its compartments are delineated by biomembranes. These membranes are composed of lipids, proteins and small molecules. We aim to provide a mathematical description of how the membrane composition interacts with the shape of the cell. In order for this description to be useful, we need to have access to high quality parameters.
Molecular Dynamics provides an accurate picture of specific interactions at the membran surface and thereby allows us to parametrize our models as well as to examine the influence of membrane remodeling proteins close up.
Combining molecular dynamics, continuum theory and experiment will lead us to a complete mathematical description of the morphology of the cell.