Soft Matter, 12, 263-271 (2016)
Yachong Guo, Vladimir Baulin and Fabrice Thalmann
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 mechanical properties, membrane thickness and lateral distribution of hydroperoxide groups in the phospholipid bilayer are presented.
Latest posts by Yachong Guo (see all)
Latest posts by Vladimir Baulin (see all)
Latest posts by Fabrice Thalmann (see all)