Dynamic pathways for viral capsid assembly
Dynamic pathways for viral capsid assembly
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DOI：
10.1529/biophysj.105.076851
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发表时间：
2006-07-01
影响因子：
3.4
通讯作者：
Chandler, David
中科院分区：
文献类型：
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作者：
Hagan, Michael F.;Chandler, David
我们开发了一类模型，利用牛顿动力学模拟粒子组装成 T1 衣壳状物体。通过模拟许多不同系统参数值的装配，我们改变了驱动装配的力。对于某些参数范围，组装很容易；对于另一些人来说，组装会受到与畸形或不完全形成的衣壳相对应的动力学陷阱的动态阻碍。我们的模拟在不同的壳粒浓度下对许多独立的轨迹进行了采样，从而得出具有统计意义的结论。根据亚基（即壳粒）的几何形状，成功的组装通过涉及不同尺寸中间体结合的多种机制进行。我们讨论了这些机制与衣壳组装过程的实验评估之间的关系。
We develop a class of models with which we simulate the assembly of particles into T1 capsidlike objects using Newtonian dynamics. By simulating assembly for many different values of system parameters, we vary the forces that drive assembly. For some ranges of parameters, assembly is facile; for others, assembly is dynamically frustrated by kinetic traps corresponding to malformed or incompletely formed capsids. Our simulations sample many independent trajectories at various capsomer concentrations, allowing for statistically meaningful conclusions. Depending on subunit (i.e., capsomer) geometries, successful assembly proceeds by several mechanisms involving binding of intermediates of various sizes. We discuss the relationship between these mechanisms and experimental evaluations of capsid assembly processes.