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- W3201625145 abstract "A mesoscopic model with molecular resolution is presented for dipalmitoyl phosphatidylcholine (DPPC) and palmitoyl oleoyl phosphatidylcholine (POPC) monolayer simulations at the air-water interface using many-body dissipative particle dynamics (MDPD). The parameterization scheme is rigorously based on reproducing the physical properties of water and alkane and the interfacial property of the phospholipid monolayer by comparison with experimental results. Using much less computing cost, these MDPD simulations yield a similar surface pressure-area isotherm as well as similar pressure-related morphologies as all-atom simulations and experiments. Moreover, the compressibility modulus, order parameter of lipid tails, and thickness of the phospholipid monolayer are quantitatively in line with the all-atom simulations and experiments. This model also captures the sensitive changes in the pressure-area isotherms of mixed DPPC/POPC monolayers with altered mixing ratios, indicating that the model is promising for applications with complex natural phospholipid monolayers. These results demonstrate a significant improvement of quantitative phospholipid monolayer simulations over previous coarse-grained models." @default.
- W3201625145 created "2021-09-27" @default.
- W3201625145 creator A5043712351 @default.
- W3201625145 creator A5070930874 @default.
- W3201625145 creator A5085002372 @default.
- W3201625145 date "2021-11-01" @default.
- W3201625145 modified "2023-09-28" @default.
- W3201625145 title "Interfacial behavior of phospholipid monolayers revealed by mesoscopic simulation" @default.
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- W3201625145 cites W1981984118 @default.
- W3201625145 cites W1982001674 @default.
- W3201625145 cites W1983966091 @default.
- W3201625145 cites W1992479997 @default.
- W3201625145 cites W2002479689 @default.
- W3201625145 cites W2003949305 @default.
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- W3201625145 cites W2011200310 @default.
- W3201625145 cites W2012837623 @default.
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- W3201625145 cites W2029667189 @default.
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- W3201625145 doi "https://doi.org/10.1016/j.bpj.2021.09.031" @default.
- W3201625145 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8595742" @default.
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