Molecular dynamics simulation of lipid reorientation at bilayer edges.

ABSTRACT: Understanding cellular membrane processes is critical for the study of events such as viral entry, neurotransmitter exocytosis, and immune activation. Supported lipid bilayers are commonly used to model these membrane processes experimentally. Despite the relative simplicity of such a system, many important structural and dynamic parameters are not experimentally observable with current techniques. Computational approaches allow the development of a high-resolution model of bilayer processes. We have performed molecular dynamics simulations of dimyristoylphosphatidylcholine (DMPC) bilayers to model the creation of bilayer gaps-a common process in bilayer patterning-and to analyze their structure and dynamics. We propose a model for gap formation in which the bilayer edges form metastable m

SUBMITTER: Kasson PM 

PROVIDER: S-EPMC1304275 | biostudies-literature | 2004 Jun

REPOSITORIES: biostudies-literature