Abstract:
:A series of simulations aimed at elucidating the self-assembly dynamics of spherical virus capsids is described. This little-understood phenomenon is a fascinating example of the complex processes that occur in the simplest of organisms. The fact that different viruses adopt similar structural forms is an indication of a common underlying design, motivating the use of simplified, low-resolution models in exploring the assembly process. Several versions of a molecular dynamics approach are described. Polyhedral shells of different sizes are involved, the assembly pathways are either irreversible or reversible and an explicit solvent is optionally included. Model design, simulation methodology and analysis techniques are discussed. The analysis focuses on the growth pathways and the nature of the intermediate states, properties that are hard to access experimentally. Among the key observations are that efficient growth proceeds by means of a cascade of highly reversible stages, and that while there are a large variety of possible partial assemblies, only a relatively small number of strongly bonded configurations are actually encountered.
journal_name
Phys Bioljournal_title
Physical biologyauthors
Rapaport DCdoi
10.1088/1478-3975/7/4/045001subject
Has Abstractpub_date
2010-12-09 00:00:00pages
045001issue
4eissn
1478-3967issn
1478-3975pii
S1478-3975(10)52062-4journal_volume
7pub_type
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