2013/01/08 by Hagan, Michael F. · 3 citations
#Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft)
paper · doi:10.48550/arxiv.1301.1657
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.