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We apply a simple model system of patchy particles to study monodisperse self-assembly using the Platonic solids as target structures. We find marked differences between the assembly behaviors of the ...
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Monodisperse self-assembly in a model with protein-like interactions

J. Chem. Phys. 131, 175102 (2009); doi:10.1063/1.3243581

Published 2 November 2009

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Alex W. Wilber,1 Jonathan P. K. Doye,1 Ard A. Louis,2 and Anna C. F. Lewis1
1Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom
2Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP, United Kingdom
We study the self-assembly behavior of patchy particles with “proteinlike” interactions that can be considered as a minimal model for the assembly of viral capsids and other shell-like protein complexes. We thoroughly explore the thermodynamics and dynamics of self-assembly as a function of the parameters of the model and find robust assembly of all target structures considered. Optimal assembly occurs in the region of parameter space where a free energy barrier regulates the rate of nucleation, thus preventing the premature exhaustion of the supply of monomers that can lead to the formation of incomplete shells. The interactions also need to be specific enough to prevent the assembly of malformed shells, but while maintaining kinetic accessibility. Free energy landscapes computed for our model have a funnel-like topography guiding the system to form the target structure and show that the torsional component of the interparticle interactions prevents the formation of disordered aggregates that would otherwise act as kinetic traps. ©2009 American Institute of Physics
History: Received 31 July 2009; accepted 15 September 2009; published 2 November 2009
Permalink: http://link.aip.org/link/?JCPSA6/131/175102/1
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EDITORIALLY RELATED

  1. Self-assembly of monodisperse clusters: Dependence on target geometry
    Alex W. Wilber et al.
    J. Chem. Phys. 131, 175101 (2009)

KEYWORDS and PACS

Keywords
PACS
  • 87.15.km
    Protein-protein interactions
  • 87.14.E-
    Proteins
  • 87.15.ak
    Monte Carlo simulations in molecular biophysics
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

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