Conformation and packing properties of membrane lipids: The crystal structure of sodium dimyristoylphosphatidylglycerol
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2015, European Journal of Medicinal ChemistryCitation Excerpt :Pre-quilibration was performed in the NPT ensemble for 20 ns and after it was followed by a 50 ns simulation to stabilize the structure in solution. As far as the lipid bilayer is concerned, a pre-equilibrated 40 ns containing 108 lipid of POPG membrane [32,33] hydrated by water molecules was used to simulate a negatively charged model membrane. Since POPG show chiral center, according literature data [34], a racemic mixture was used in order to have a lipid bilayer characterized by neutral chirality.
Minimal effect of lipid charge on membrane miscibility phase behavior in three ternary systems
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