volume 135, issue 1, P27-37 2005
DOI: 10.1016/j.chemphyslip.2005.01.006
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Abstract: A molecular dynamics (MD) simulation of the fully hydrated bilayer made of 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) and containing beta-carotene (beta-Car) molecules was carried out as a complementary approach to experimental techniques to investigate the orientation of beta-Car in the lipid membrane as well as its influence on the bilayer properties. The bilayer reached thermal equilibrium after 1200 ps of MD simulation and the productive run was carried out for 2800 ps. The results indicate that the c…

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