All-atom virus simulations
All-atom virus simulations
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DOI：
10.1016/j.coviro.2018.08.007
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发表时间：
2018-08-01
影响因子：
5.9
通讯作者：
Perilla, Juan R.
中科院分区：
文献类型：
--
作者：
Hadden, Jodi A.;Perilla, Juan R.
病毒性疾病的持续威胁可以通过开发旨在破坏病毒结构或感染周期过程的关键特征的新型疫苗和疗法来对抗。这种发展依赖于病毒及其动力学行为的高分辨率表征，这往往是具有挑战性的，仅通过实验获得。作为回应，全原子分子动力学模拟被广泛用于研究病毒的结构组成，导致了迄今为止最大的模拟工作。目前的工作回顾了典型的全原子模拟工作的病毒，以及模拟整个病毒粒子的进展。
The constant threat of viral disease can be combated by the development of novel vaccines and therapeutics designed to disrupt key features of virus structure or infection cycle processes. Such development relies on high-resolution characterization of viruses and their dynamical behaviors, which are often challenging to obtain solely by experiment. In response, all-atom molecular dynamics simulations are widely leveraged to study the structural components of viruses, leading to some of the largest simulation endeavors undertaken to date. The present work reviews exemplary all-atom simulation work on viruses, as well as progress toward simulating entire virions.