Year of Graduation
Molecular-Dynamic Modeling of Density Fluctuations in Lipid Membranes
Mathematical Methods of Modelling and Computer Technologies
Cell membranes are complex multicomponent and heterogeneous systems that perform many vital functions. Their structural organization is based on lipid bilayer, which is formed by phospholipid molecules in the aquatic environment. Despite the apparent simplicity, this structure possesses a wealth of unique properties, in particular, there are heterogeneities of various dimensions and collective movements of lipids. In this work, we present the result of computational analysis of studying the lipid molecules dynamics. The research is devoted to a detailed study of dynamic in a hydrated lipid bilayer, which mimics cell membrane. A new approach to the analysis of the structural-dynamic parameters of lipids is presented. It was shown using a model hydrated bilayer system there are lipid clusters that have correlated motions. They can include lipid molecules that are quite far from each other (at distances up to 5 nm). Thus, we propose the basis of search for the mechanisms of lipid domains formation including rafts in real cell membranes.