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Soft Matter Vol - 13 Issue - 2

DNA packaging in viral capsids with peptide arms

Content Provider	Royal Society of Chemistry (RSC)
Author	Bachmann, Michael Cao, Qianqian
Copyright Year	2017
Abstract	Strong chain rigidity and electrostatic self-repulsion of packed double-stranded DNA in viruses require a molecular motor to pull the DNA into the capsid. However, what is the role of electrostatic interactions between different charged components in the packaging process? Though various theories and computer simulation models were developed for the understanding of viral assembly and packaging dynamics of the genome, long-range electrostatic interactions and capsid structure have typically been neglected or oversimplified. By means of molecular dynamics simulations, we explore the effects of electrostatic interactions on the packaging dynamics of DNA based on a coarse-grained DNA and capsid model by explicitly including peptide arms (PAs), linked to the inner surface of the capsid, and counterions. Our results indicate that the electrostatic interactions between PAs, DNA, and counterions have a significant influence on the packaging dynamics. We also find that the packed DNA conformations are largely affected by the structure of the PA layer, but the packaging rate is insensitive to the layer structure.
Starting Page	600
Ending Page	607
Page Count	8
File Format	HTM / HTML PDF
ISSN	1744683X
Volume Number	13
Issue Number	3
Journal	Soft Matter
DOI	10.1039/c6sm02259f
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Computer simulation DNA Molecular dynamics Molecular motor Capsid Genome Peptide
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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