Modeling Viral Capsid Assembly.
Modeling Viral Capsid Assembly.
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DOI：
10.1002/9781118755815.ch01
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发表时间：
2014
影响因子：
--
通讯作者：
中科院分区：
文献类型：
--
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我提出了一个审查的理论和计算方法，已被用来模拟组装的病毒衣壳。我讨论的能力和局限性的方法，从平衡连续统理论的分子动力学模拟，我给了一些重要的结论概述病毒组装，从这些建模工作。主题包括空病毒壳的组装，围绕单链核酸组装形成病毒颗粒，以及围绕合成聚合物或纳米技术或生物医学应用的带电纳米颗粒组装。我提出了一些例子，其中建模的努力促进了实验的突破，以及方向，建模和实验之间的联系可以加强。
I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to molecular dynamics simulations, and I give an overview of some of the important conclusions about virus assembly that have resulted from these modeling efforts. Topics include the assembly of empty viral shells, assembly around single-stranded nucleic acids to form viral particles, and assembly around synthetic polymers or charged nanoparticles for nanotechnology or biomedical applications. I present some examples in which modeling efforts have promoted experimental breakthroughs, as well as directions in which the connection between modeling and experiment can be strengthened.