Computer Simulation of Hydrogen Bonding in Mixed Layers of PE and PC Lipids

Abstract

Modeling cell membranes is one way we can come to a better understanding of how they work, and their unique phase behavior makes them an interesting system to model. Membranes are primarily composed of a phospholipid bilayer, with a few proteins and carbohydrates included. A typical animal cell membrane contains several different types of phospholipids.' Before we attempt to produce a coherent model of an entire membrane, it is useful to develop simpler models of membranes composed of only one species of phospholipid without proteins or carbohydrates. Models of such pure lipid bilayers have been developed and are quite successful. Until recently however, there has not been a model which takes into account inter-molecular hydrogen bonding. Zhang et al. have developed a way of incorporating hydrogen bonding into the models of phospholipids. My research has been on a model for hydrogen bonding in membranes composed of more than one kind of lipid.