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  -