Free energy analysis of vesicle-to-bicelle transformation
Free energy analysis of vesicle-to-bicelle transformation
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DOI：
10.1039/c1sm05404j
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发表时间：
2011-01-01
期刊：
影响因子：
3.4
通讯作者：
Nielsen, Steven O.
中科院分区：
文献类型：
--
作者：
Shinoda, Wataru;Nakamura, Takenobu;Nielsen, Steven O.
由有限数量的脂质分子组成的脂质组装体可以具有多个亚稳态结构。使用一系列的粗粒度的分子动力学模拟，我们评估的自由能配置文件的小泡转化为盘状结构称为bicelle。这个自由能被发现是低于从连续弹性理论预测。对于小的单层囊泡，膜的内部结构的松弛建议发挥重要作用，在降低自由能垒的囊泡到bicelle转换。
A lipid assembly composed of a finite number of lipid molecules can have multiple metastable structures. Using a series of coarse-grained molecular dynamics simulations, we evaluate the free energy profile for the transformation of a small vesicle to a disk-like structure called a bicelle. This free energy is found to be lower than that predicted from continuum elastic theory. For small unilamellar vesicles, the relaxation of the internal structure of the membrane is suggested to play an important role in lowering the free energy barrier for the vesicle-to-bicelle transformation.