Simulating dynamics of lipid bilayers

Biomolecular systems are not static but rather in constant motion. Molecular dynamics (MD) simulations give us a glimpse into molecular movements on an atomic scale and allow us to analyze dynamic events taking place in biological systems.

In this project, we will use computational biology tools, MD simulations in particular, to gain a better understanding of dynamic behavior and of quantitative properties of lipid bilayers. We will build several different lipid bilayers (both of homogeneous and heterogeneous compositions), surround them by water and ions, and simulate these systems to analyze properties such as lateral diffusion of lipids, among others. Ultimately, the results from MD simulations will be integrated with (already obtained) measurements of bilayers’ properties from the wet lab.

For this project, we are looking for a student interested in bioinformatics/computational biology and simulations of molecular systems.

Cover figure: DOPC lipid bilayer surrounded by water (Amber).