FEBS Lett. 2006 Jan 9;580(1):144-8. Epub 2005 Dec 6.

Molecular dynamics simulation of a phosphatidylglycerol membrane.

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Department of Chemistry, Wellesley College, 106 Central St., Wellesley, MA 02481, USA. delmore@wellesley.edu

Abstract

Although molecular dynamics simulations are an important tool for studying membrane systems, relatively few simulations have used anionic lipids. This paper reports the first simulation of a pure phosphatidylglycerol (PG) bilayer. The properties of this equilibrated palmitoyloleoylphosphatidylglycerol membrane agree with experimental observations of PG membranes and with previous simulations of monolayers and mixed bilayers containing PG lipids. These simulations also provide interesting insights into hydrogen bonding interactions in PG membranes. This equilibrated membrane will be a useful starting point for simulations of membrane proteins interacting with PG lipids.

PMID:: 16359668; [PubMed - indexed for MEDLINE]

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