Modeling Viral Capsid Assembly

TL;DR

This paper reviews theoretical and computational models of viral capsid assembly, highlighting their capabilities, limitations, and contributions to understanding virus formation and nanotechnology applications.

Contribution

It provides a comprehensive overview of modeling approaches for viral capsid assembly and discusses their impact on experimental research and future directions.

Findings

Models have advanced understanding of empty capsid assembly

Simulations have elucidated assembly around nucleic acids and nanoparticles

Modeling has facilitated experimental breakthroughs in virus research

Abstract

I present a review of the theoretical and computational methodologies that have been used to model the assembly of viral capsids. I discuss the capabilities and limitations of approaches ranging from equilibrium continuum theories to molecular dynamics simulations, and I give an overview of some of the important conclusions about virus assembly that have resulted from these modeling efforts. Topics include the assembly of empty viral shells, assembly around single-stranded nucleic acids to form viral particles, and assembly around synthetic polymers or charged nanoparticles for nanotechnology or biomedical applications. I present some examples in which modeling efforts have promoted experimental breakthroughs, as well as directions in which the connection between modeling and experiment can be strengthened.