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Issue 61, 2014
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Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

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Abstract

We present large-scale simulation results on the self-assembly of amphiphilic systems in bulk solution and under soft confinement. Self-assembled unilamellar and multilamellar vesicles are formed from amphiphilic molecules in bulk solution. The system is simulated by placing amphiphilic molecules inside large unilamellar vesicles (LUVs) and the dynamic soft confinement-induced self-assembled vesicles are investigated. Moreover, the self-assembly of sickle hemoglobin (HbS) is simulated in a crowded and fluctuating intracellular space and our results demonstrate that the HbS self-assembles into polymer fibers causing the LUV shape to be distorted.

Graphical abstract: Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

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Publication details

The article was received on 26 Apr 2014, accepted on 06 Jun 2014 and first published on 06 Jun 2014


Article type: Communication
DOI: 10.1039/C4CC03096F
Citation: Chem. Commun., 2014,50, 8306-8308
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    Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems

    X. Li, Y. Tang, H. Liang and G. E. Karniadakis, Chem. Commun., 2014, 50, 8306
    DOI: 10.1039/C4CC03096F

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