TY - JOUR AU - Guo, Y. AU - Baulin, V. A. AU - Thalmann, F. PY - 2016 DA - 2016// TI - Peroxidised phospholipid bilayers: insight from coarse-grained molecular dynamics simulations JO - Soft Matter SP - 263 EP - 271 VL - 12 IS - 1 AB - 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. SN - 1744-683x N1 - Times Cited: 0THALMANN, Fabrice /F-8441-2015; Guo, Yachong/D-4658-2016Guo, Yachong/0000-0001-6821-048301744-6848 ID - Guo_etal2016 ER -