@Article{CiCP-23-5,
author = {},
title = {Coarse-Grained Molecular Dynamics Simulation of DPPC Lipid Bilayers: Size Effect on Structural and Dynamic Properties},
journal = {Communications in Computational Physics},
year = {2018},
volume = {23},
number = {5},
pages = {1476--1487},
abstract = {<p style="text-align: justify;">Coarse-grained molecular dynamics simulations of DPPC lipid bilayers were
performed with different system sizes at T = 323 K for a period of 1 µs. The structural
properties of the systems were demonstrated by examining the area and volume per
lipid, electron density profile, order parameter, and the lipid bilayer thickness. It was
shown that the finite system size has a negligible effect on the ensemble averages of the
area and volume per lipid, the order parameter, and the bilayer thickness. However,
the electron density profiles become smoother and wider at a larger system size due to
the increasing surface/interface fluctuation from undulations. On the other hand, the
lipid dynamics was quantified by computing the lateral diffusion coefficients of DPPC
molecules. It was revealed that, the effective lateral diffusion coefficient of DPPC increases
initially by 19% as the bilayer increases from 64 to 256 lipids per leaflet, and
then it changes slightly and fluctuates around a steady value as the system further
expands.</p>},
issn = {1991-7120},
doi = {https://doi.org/10.4208/cicp.OA-2017-0056},
url = {https://global-sci.com/article/80062/coarse-grained-molecular-dynamics-simulation-of-dppc-lipid-bilayers-size-effect-on-structural-and-dynamic-properties}
}