Coarse-grained molecular dynamics simulation of dendrimer transmembrane transport with temperature-dependent membrane phase states

International Journal of Heat and Mass Transfer(2020)

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摘要
•Dendrimer transmembrane transport mechanism is studied by CGMD simulations.•The membrane models with temperature-dependent phases were built.•The dendrimer absorbs to the surface of gel membrane, while inserts into the fluid membrane.•Gel membrane features bring difficulties for membrane curvature and dendrimer insertion.•Cholesterol in the gel membrane can improve the dendrimer transport.
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关键词
Membrane,Temperature-dependent phase state,Nanoparticles,Drug delivery,Coarse-grained molecular dynamics simulation
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