Supramolecular self-assembly : molecular dynamics modeling of polyhedral shell formation

  title={Supramolecular self-assembly : molecular dynamics modeling of polyhedral shell formation},
  author={D. C. Rapaporta and J. E. Johnsonb and Jeffrey Skolnick},
The self-assembly of polyhedral virus shells (capsids) provides a fascinating example of the complex processes that occur in the simplest of organisms. Little is known about the assembly mechanism, but the fact that different viruses adopt similar structures hints at common design principles and suggests that simplified models ought to be helpful in understanding the assembly process. In order to establish the viability of this approach we have carried out exploratory MD simulations that… CONTINUE READING
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