A lattice dynamics model of lipid bilayer systems

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Abstract
A lattice dynamics model study of the orientational order and dynamics of a lipid bilayer based on the Monte Carlo dynamics technique is presented. The underlying premise of the method is that the conformational dynamics of the hydrocarbon chains can be described as the superposition of local structural rearrangements involving small chain segments. Although these simulations only take into account intramolecular conformational energy and excluded volume interactions, they reproduce the order parameter and mobility gradients along the length of the lipid molecules and the electron density profile of the bilayer. It is shown that this approach provides a useful and efficient approach for simulating the effects of cholesterol on the dynamic behavior of the lipid molecules. Moreover, the simulations also provide insight into the orientational motions of the cholesterol molecules in the bilayer system.

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