Current Opinion in Virology
The constant threat of viral pathogens can be combated by the development of novel vaccines and therapeutics designed to disrupt key features of virus structure or infection 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 dynamics of virus structural components, leading to some of the largest simulation endeavors undertaken to date. The present work reviews exemplary all-atom simulation work on viruses, including progress toward simulating entire virions.