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A coarse-grained molecular dynamics study of DLPC, DMPC, DPPC, and DSPC mixtures in aqueous solution


Citation

Karjiban, Roghayeh Abedi and Shaari, Nurul Syahidah and Gunasakaran, Uma Villashini and Basri, Mahiran (2013) A coarse-grained molecular dynamics study of DLPC, DMPC, DPPC, and DSPC mixtures in aqueous solution. Journal of Chemistry, 2013. art. no. 931051. pp. 1-6. ISSN 2090-9063; ESSN: 2090-9071

Abstract

The structural and dynamics properties of the bilayer comprising 128 molecules of dipalmitoylphosphatidylcholine (DPPC), dilauroylphosphatidylcholine (DLPC), dimyristoylphosphatidylcholine (DMPC), and distearoylphosphatidylcholine (DSPC) in water were investigated using a coarse-grained molecular dynamics (CG-MD) simulation technique. The model mixture system was simulated at 298 K under semi-isotropic pressure conditions. The aggregation was initiated from the random configurations followed by the formation of a bilayer over a period of 500 ns. The calculated values of the area per lipid, thickness, and lateral diffusion for the mixed model were different from when a single lipid was used. Our results confirmed that the chain length of the lipid molecules strongly affects the phospholipid bilayer's physical properties.


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Official URL or Download Paper: http://www.hindawi.com/journals/jchem/2013/931051/

Additional Metadata

Item Type: Article
Divisions: Faculty of Biotechnology and Biomolecular Sciences
Faculty of Science
Institute of Bioscience
DOI Number: https://doi.org/10.1155/2013/931051
Publisher: Hindawi Publishing Corporation
Keywords: Dipalmitoylphosphatidylcholine; Dilauroylphosphatidylcholine; Dimyristoylphosphatidylcholine, Distearoylphosphatidylcholine; Self-assembly; Coarse-grained molecular dynamics.
Depositing User: Umikalthom Abdullah
Date Deposited: 10 Sep 2014 02:45
Last Modified: 18 Sep 2015 08:00
Altmetrics: http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1155/2013/931051
URI: http://psasir.upm.edu.my/id/eprint/30177
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