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通过N变量耗散粒子动力学模拟多组分膜中单个结构域的出芽动力学。

Budding dynamics of individual domains in multicomponent membranes simulated by N-varied dissipative particle dynamics.

作者信息

Hong Bingbing, Qiu Feng, Zhang Hongdong, Yang Yuliang

机构信息

The Key Laboratory of Molecular Engineering of Polymers, Ministry of Education, Department of Macromolecular Science, Fudan University, Shanghai, China.

出版信息

J Phys Chem B. 2007 May 31;111(21):5837-49. doi: 10.1021/jp066046h. Epub 2007 May 8.

DOI:10.1021/jp066046h
PMID:17487994
Abstract

We study the budding dynamics of individual domains in flat, multicomponent membranes using dissipative particle dynamics (DPD) simulations with varied bead number N, in which addition and deletion of beads based on their density at the membrane boundary is introduced. The budding process of a tubular bud, accompanied by a dynamical transition reflected in the energy and morphology evolutions, is investigated. The simulations show that budding duration is shortened with increasing line tension and depends on the domain size quadratically. At low line tension, increasing bending modulus accelerates budding at first, but suppresses the process as it increases further. In addition, the controlling role of the surface tension in the budding process is also explored. Finally, we use the N-varied DPD to simulate the experimentally observed multicomponent tubular vesicles, and the three bud growth modes are confirmed.

摘要

我们使用具有不同珠子数量N的耗散粒子动力学(DPD)模拟,研究了扁平多组分膜中单个区域的出芽动力学,其中引入了基于膜边界处珠子密度的珠子添加和删除。研究了管状芽的出芽过程,伴随着能量和形态演变中反映的动态转变。模拟表明,出芽持续时间随着线张力的增加而缩短,并且与区域大小呈二次方关系。在低线张力下,弯曲模量的增加起初会加速出芽,但随着其进一步增加会抑制该过程。此外,还探讨了表面张力在出芽过程中的控制作用。最后,我们使用不同N值的DPD来模拟实验观察到的多组分管状囊泡,并证实了三种芽生长模式。

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J Phys Chem B. 2007 May 31;111(21):5837-49. doi: 10.1021/jp066046h. Epub 2007 May 8.
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