Viruses are particularly challenging systems to study via molecular simulation methods. Virus capsids typically consist of over 100 subunit proteins and reach dimensions of over 100 nm; solvated viruses capsid systems can be over 1 million atoms in size. In this review, I will present recent developments which have attempted to overcome the significant computational expense to perform simulations which can inform experimental studies, make useful predictions about biological phenomena and calculate material properties relevant to nanotechnology design efforts.

中文翻译：

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研究球形病毒衣壳的分子模拟方法的最新进展

病毒是通过分子模拟方法研究的特别具有挑战性的系统。病毒衣壳通常由 100 多个亚基蛋白组成，尺寸超过 100 nm；溶剂化病毒衣壳系统的大小可能超过 100 万个原子。在这篇评论中，我将介绍最近的发展，这些发展试图克服大量的计算费用来进行模拟，这些模拟可以为实验研究提供信息，对生物现象做出有用的预测，并计算与纳米技术设计工作相关的材料特性。