ProjectUnderstanding lipid membranes through molecular dynamics simulations
About
The fluid nature of lipid membranes makes their structural study difficult, so much so that many parameters used to characterize them, such as lipid arrangement defects, are poorly understood. To overcome this difficulty, we perform molecular dynamics simulations. We model membranes with defined curvature and composition to predict their properties. These approaches have allowed us to explain the cumulative effect of membrane curvature and lipid unsaturation on the binding of amphipathic helices. Currently, we are studying the influence of lipid composition on the mechanical response of membranes, in particular the effect of polyunsaturated lipids (omega-6 or omega-3) on membrane deformation and fission.
Characterization of lipid arrangement defects in a membrane simulated by molecular dynamics