Simulation studies of the interactions between membrane proteins and detergents
Simulation studies of the interactions between membrane proteins and detergents
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DOI：
10.1042/bst0330910
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发表时间：
2005-11-01
影响因子：
3.9
通讯作者：
Sansom, MSP
中科院分区：
文献类型：
--
作者：
Bond, PJ;Cuthbertson, J;Sansom, MSP
膜蛋白和去污剂之间的相互作用在生物物理和结构研究中很重要，并且在折叠和运输方面也具有生物学相关性。尽管缺乏有关蛋白质与洗涤剂相互作用的高分辨率数据，但新颖的方法和增强的计算能力使模拟能够提供一种详细了解这种相互作用的方法。模拟已用于比较脂质或去污剂对膜蛋白结构和动力学的影响。此外，迄今为止一些最长和最复杂的模拟已被用来观察膜蛋白洗涤剂胶束的自发形成。确定了 α 螺旋和 β 桶膜蛋白胶束自组装过程中的常见机制步骤，并提出了一种简单的动力学机制。最近，简化（即粗粒度）模型已被用来跟踪膜蛋白-洗涤剂组件的长时间尺度转变。
Interactions between membrane proteins and detergents are important in biophysical and structural studies and are also biologically relevant in the context of folding and transport. Despite a paucity of high-resolution data on protein-detergent interactions, novel methods and increased computational power enable simulations to provide a means of understanding such interactions in detail. Simulations have been used to compare the effect of lipid or detergent on the structure and dynamics of membrane proteins. Moreover, some of the longest and most complex simulations to date have been used to observe the spontaneous formation of membrane protein-detergent micelles. Common mechanistic steps in the micelle self-assembly process were identified for both alpha-helical and beta-barrel membrane proteins, and a simple kinetic mechanism was proposed. Recently, simplified (i.e. coarse-grained) models have been utilized to follow long timescale transitions in membrane protein-detergent assemblies.