Simulation studies of a phenomenological model for elongated virus capsid formation

TL;DR

This study uses a novel simulation approach combining Monte Carlo methods and convex hull algorithms to model the formation of elongated virus capsids, aligning with experimental structures and suggesting new avenues for colloidal assembly.

Contribution

It introduces a phenomenological model and simulation technique that accurately reproduces non-icosahedral, elongated virus capsid structures, expanding understanding of virus assembly.

Findings

Simulation reproduces structures of elongated virus capsids.

Identifies physical requirements for non-icosahedral capsids.

Suggests experimental realization via colloidal sphere assembly.

Abstract

We study a phenomenological model in which the simulated packing of hard, attractive spheres on a prolate spheroid surface with convexity constraints produces structures identical to those of prolate virus capsid structures. Our simulation approach combines the traditional Monte Carlo method with a modified method of random sampling on an ellipsoidal surface and a convex hull searching algorithm. Using this approach we identify the minimum physical requirements for non-icosahedral, elongated virus capsids, such as two aberrant flock house virus (FHV) particles and the prolate prohead of bacteriophage $\phi_{29}$, and discuss the implication of our simulation results in the context of recent experimental findings. Our predicted structures may also be experimentally realized by evaporation-driven assembly of colloidal spheres.