Recent advances in coarse-grained modeling of virus assembly

TL;DR

This review highlights recent computational modeling advances that enable detailed simulations of virus assembly processes, bridging experimental conditions and large-scale dynamical behaviors.

Contribution

It summarizes new technological and algorithmic developments that improve the accuracy and scope of virus assembly simulations.

Findings

Enhanced simulation capabilities for large-scale virus assembly.

Computational models complement experimental studies effectively.

Advances enable more realistic and detailed dynamical descriptions.

Abstract

In many virus families, tens to thousands of proteins assemble spontaneously into a capsid (protein shell) while packaging the genomic nucleic acid. This review summarizes recent advances in computational modeling of these dynamical processes. We present an overview of recent technological and algorithmic developments, which are enabling simulations to describe the large ranges of length-and time-scales relevant to assembly, under conditions more closely matched to experiments than in earlier work. We then describe two examples in which computational modeling has recently provided an important complement to experiments.