A minimal representation of the self-assembly of virus capsids

Viruses are biological nanosystems with a capsid of protein-made capsomer units that encloses and protects the genetic material responsible for their replication. Here we show how the geometrical constraints of the capsomer–capsomer interaction in icosahedral capsids and the requirement of low frustration fix the form of the shortest and universal truncated multipolar expansion of the two-body interaction between capsomers. The structures of many of the icosahedral and related virus capsids are located as single lowest energy states of a potential energy surface built from this interaction. Our minimalist representation is consistent with other models known to produce a controllable and efficient self-assembly, and unveils relevant features of the natural design of the capsids. It promises to be very useful in physical virology and may also be of interest in fields of nanoscience and nanotechnology where similar hollow convex structures are relevant.