192
4 Toward More Sophisticated Problems
Fig. 4.50 Snapshot of collapse of satellite tobacco mosaic virus (STMV) capsid in the absence of
RNA. a The beginning and b after 10 ns of the simulation. Trimers of the capsid heavily concerning
the collapse are colored. Reprinted from Freddolino et al. (2006). Copyright 2006, with permission
from Elsevier
Fig. 4.51 The MD snapshot
of the capsid of poliovirus in
solution with coloring for
VP1-VP4. Reprinted from
Andoh et al. (2014), with the
permission of AIP publishing
from the excessive charges in the capsid. This peculiar behavior seems to realize the
environment to stably accommodate the RNA inside the empty capsid. The challenge
of these MD calculations will be carried on for the time being until more sophisticated
QM/MM or pure QM calculations become realistic.