All-atom virus simulations

Publication date: Available online 1 September 2018Source: Current Opinion in VirologyAuthor(s): Jodi A Hadden, Juan R PerillaThe 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.Graphical Abstract

Source: Current Opinion in Virology - September 2, 2018 Category: Virology Source Type: research