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- W2109741854 abstract "A coarse-grain model for amphiphilic diblock copolymers is developed by fitting the required parameters to properties taken from all-atom molecular dynamics simulations and experimental data. Computations with the present coarse-grain model yield spontaneous self-assembly of a random system into membrane bilayers when the amphiphilic diblock copolymers have a lipid-like hydrophilic/hydrophobic ratio. The model semiquantitatively reproduces a number of experimental results that were not explicitly used in the parametrization. In particular, diblock polymers with the appropriate ratio of hydrophobic−hydrophilic segment lengths self-assemble into membranes whose hydrophobic thickness (determined from mass density profiles) and scaling with molecular weight are found to be in good agreement with the experiment." @default.
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- W2109741854 date "2004-05-21" @default.
- W2109741854 modified "2023-09-23" @default.
- W2109741854 title "Simulation of Diblock Copolymer Self-Assembly, Using a Coarse-Grain Model" @default.
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- W2109741854 doi "https://doi.org/10.1021/jp037842f" @default.
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