期刊
SOFT MATTER
卷 12, 期 1, 页码 263-271出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5sm01350j
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资金
- Marie Curie Actions under EU FP7 Initial Training Network SNAL [608184]
An original coarse-grained model for peroxidised phospholipids is presented, based on the MARTINI lipid force field. This model results from a combination of thermodynamic modelling and structural information on the area per lipid, which have been made available recently. The resulting coarse-grained lipid molecules form stable bilayers, and a set of elastic coefficients (compressibility and bending moduli) is obtained. We compare the compressibility coefficient to the experimental values [Weber et al., Soft Matter, 2014, 10, 4241]. Predictions for the mechanical properties, membrane thickness and lateral distribution of hydroperoxide groups in the phospholipid bilayer are presented.
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