Simulation of Membrane Fission using Coarse Grained Molecular and Brownian Dynamics Approaches

• Applicant: Dr. Alexander Spaar
• Subject Area: Biophysics
• Term: from 2005 to 2008
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 16340872

The budding and fission of membranes is a fundamental process in the creation of intracellular carriers for proteins. The mechanisms of membrane fission in Golgi tubules are under intense experimental research. Complementary to the experimental techniques, the number of theoretical approaches is rather small. In addition to existing analytical calculations, a numerical approach is needed to provide an understanding of the exact roles of the lipids and proteins. In this context, molecular dynamics simulations using the coarsegrained lipid model will provide suitable methods for understanding the budding and fission processes at the molecular level. Parallel to this approach, the development of a novel, simplistic Brownian dynamics simulation model will allow the analysis of the process well beyond the dimensions that are accessible by the coarse-grained approach. With the development of coarse-grained models of the proteins involved, the role of the lipids can be precisely distinguished from that of the specific proteins. The strong interactions possible with the experimental systems of the Host Institute will be essential to the project, and they will allow both the verification or correction of the simulations, and the suggestion of experiments to testify to the success of simulated scenarios.

• DFG Programme: Research Fellowships
• International Connection: Italy
• Host: Dr. Alberto Luini