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• W2003194270 abstract "Structural properties of encapsidated flexible polyelectrolytes in viral capsids with dodecahedral charge distribution have been investigated by Monte Carlo simulations using a coarse-grained model. Several capsid charge distributions ranging from a homogeneous surface charge distribution (lambda=0) to a complete dodecahedral distribution (lambda=1) at constant total capsid charge and fixed radial location of the capsid charges have been considered. The radial and lateral organizations of the polyelectrolyte have been examined as a function of the polyelectrolyte length and capsid charge distribution. With short polyelectrolytes a single polyelectrolyte layer was formed at the inner capsid surface, whereas at increasing polyelectrolyte length also a uniform polyelectrolyte density inside the surface layer was established. At low lambda , the polyelectrolyte layer was laterally isotropic, but at lambda> or =0.05 a dodecahedral structure started to appear. At lambda=1 , the polyelectrolyte followed essentially a path along the edges of a dodecahedron. With sufficiently long chains, all edges were decorated with polyelectrolyte, facilitated by loop formation. For an undercharged capsid, the capsid counterions inside the capsid also adopted a dodecahedral distribution." @default.
• W2003194270 created "2016-06-24" @default.
• W2003194270 creator A5039464431 @default.
• W2003194270 creator A5048576171 @default.
• W2003194270 date "2007-05-09" @default.
• W2003194270 modified "2023-09-25" @default.
• W2003194270 title "Monte Carlo simulations of flexible polyelectrolytes inside viral capsids with dodecahedral charge distribution" @default.
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• W2003194270 doi "https://doi.org/10.1103/physreve.75.051905" @default.
• W2003194270 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17677096" @default.
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