From structures to systems: A hierachical approach to understanding sub-cellular components. (2008-2010)

To truly understand fundamental processes within cells such as how membranes form, how processes such as membrane fission and fusion are regulated or how proteins self-assemble into functional complexes (micro machines) we must combine structural studies with predictive models that can accurately reproduce the dynamic properties of real systems. Our aim is to develop new hierarchical approaches for simulating biomolecular systems that integrate atomic level descriptions with more coarse-grained representations and to apply these approaches to provide a better understanding of membrane trafficking and other forms of emergent behaviour within cells.