Year of Graduation
Structural Dynamic Properties of Lateral Heterogeneity in Single-Component Lipid Bilayer
Mathematical Methods of Modelling and Computer Technologies
The aim of the current study is an examination of molecular mechanisms of lateral heterogeneity (domains) in model cellular membrane – hydrated lipid bilayer composed of dioleoylphosphoserine (DOPS) molecules. Simulation was conducted by a molecular dynamics method. A universal computational method for identification of lipid domains and hydrogen bonds (H-bonds) was proposed, structural and dynamic characteristics of the domains including lifetime were described, a correlation between the spatial distribution of domains and lipid-lipid, lipid-water H-bonds was shown. On the basis of the data obtained, it was concluded that in addition to high molecular density nanoscale lipid domains in DOPS membrane are characterized by great concentration of fluctuating H-bonds formed by lipid and water molecules.