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| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Event Hall |
| Time |
4월 20일 (금요일) 11:00~12:30 |
| Code |
PHYS.P-208 |
| Subject |
Computational study of PE:PC ratio lipids; membrane fluidity, lipid composition, and simulation setup |
| Authors |
Cheol hee Kim, Eunae Kim*
Department of Pharmacy, Chosun University, Korea
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| Abstract |
In biology, membrane fluidity is related on a variety of key cellular processes and for proper function of membrane proteins. The membrane fluidity can be affected by a number of factors. The membrane phospholipids incorporate fatty acid tails of varying length and saturation. On the molecular level, lipids with shorter chains are less stiff and less viscous. Lipid chains with carbon-carbon double bonds (unsaturated) are more fluid than lipids that are saturated with hydrogens and thus have only single bonds. Depending on temperature, diunsaturated lipid has more stable fluidity than saturated lipid. To compare with the experiments, we focus on the composition of a membrane and dependence of temperature in four types of lipids; 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC, synthetic), 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC, eukaryoric), 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE, diunsaturated), 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE, monounsaturated). Lipid systems with various ratio are performed by molecular dynamic simulation depending on the different temperatures; 293, 303, 310, 323 K. The lipid force field refers to MARTINI force field as a coarse-grained (CG) model, which has advantages with cheap computation expense and fast computational speed. All molecular dynamics simulation is run using GROMACS software. According to the results of the simulations, we can show that the chemical/physical properties of modeled lipid membrane are consistent with the experimental data.
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| E-mail |
pocahy@icloud.com |
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121st General Meeting of the KCS