Dynamic pathways for viral capsid assembly
We develop a class of models with which we simulate the assembly of particles into T1 capsid-like objects using Newtonian dynamics. By simulating assembly for many different values of system parameters, we vary the forces that drive assembly. For some ranges of parameters, assembly is facile, while for others, assembly is dynamically frustrated by kinetic traps corresponding to malformed or incompletely formed capsids. Our simulations sample many independent trajectories at various capsomer concentrations, allowing for statistically meaningful conclusions. Depending on subunit (i.e., capsomer) geometries, successful assembly proceeds by several mechanisms involving binding of intermediates of various sizes. We discuss the relationship between these mechanisms and experimental evaluations of capsid assembly processes.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Director. Office of Science. Office of Basic EnergySciences, DOE Grant CH04CHA01; National Science Foundation GrantCHE0078458, National Institutes of Health Grant F32GM073424-01
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 889314
- Report Number(s):
- LBNL-59618; BIOJAU; R&D Project: 403601; BnR: KC0301020; TRN: US200619%%449
- Journal Information:
- Biophysical Journal, Vol. 91; Related Information: Journal Publication Date: 03/2006; ISSN 0006-3495
- Country of Publication:
- United States
- Language:
- English
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