Molecular dynamics simulation of a phosphatidylglycerol membrane.

by: Donald E E Elmore

FEBS Lett (6 December 2005)

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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.

@article{citeulike:449841, 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.}, address = {Department of Chemistry, Wellesley College, 106 Central St., Wellesley, MA 02481, United States.}, author = {Elmore, Donald E E. }, citeulike-article-id = {449841}, doi = {10.1016/j.febslet.2005.11.064}, issn = {0014-5793}, journal = {FEBS Lett}, keywords = {bilayer, biology, membrane, molecular}, month = {December}, posted-at = {2006-10-31 15:44:30}, priority = {2}, title = {Molecular dynamics simulation of a phosphatidylglycerol membrane.}, url = {http://dx.doi.org/10.1016/j.febslet.2005.11.064}, year = {2005} }

RIS record

TY - JOUR ID - citeulike:449841 L3 - citeulike-article-id:449841 TI - Molecular dynamics simulation of a phosphatidylglycerol membrane. JF - FEBS Lett AD - Department of Chemistry, Wellesley College, 106 Central St., Wellesley, MA 02481, United States. SN - 0014-5793 N2 - 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. KW - bilayer KW - biology KW - membrane KW - molecular AU - Elmore, Donald E PY - 2005/12/06/ UR - http://dx.doi.org/10.1016/j.febslet.2005.11.064 ER -

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