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- W2070667052 abstract "Lipid bilayer structures with PEGylated headgroups are highly important for drug delivery and nanotechnology. Here, we study mixtures of DOPC (1,2-Dioleoyl-sn-glycero-3-phosphocholine) bilayers and PEGylated DOPCs at various concentration ratios fully hydrated using the MARTINI coarse-grained force field. We show that external conditions like applying a surface tension allows us to switch from a micellar configuration to a bilayer. We characterize the structures using various radial distribution functions as well as the radius of gyration of PEGylated DOPC. Our results show that under suitable condition, lipid bilayer structure can be transformed and manipulated. We also address systems where the ends of the PEGs are grafted to a surface to form a tethered bilayer. Different grafting densities and tether lengths are studied. Preliminary comparisons to experimental data show that we can obtain realistic structures." @default.
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- W2070667052 date "2012-01-01" @default.
- W2070667052 modified "2023-09-26" @default.
- W2070667052 title "Simulations of PEGylated and Tethered Lipid Bilayers" @default.
- W2070667052 doi "https://doi.org/10.1016/j.bpj.2011.11.2756" @default.
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