Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA

Paul S. Crozier; Mark J. Stevens

doi:10.1063/1.1540098

Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA

Paul S. Crozier
, Mark J. Stevens

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

An investigation on the structure of a single, grafted polyelectrolyte, DNA by molecular dynamics simulations is presented. By using parametrizations of both flexible (ssDNA) and stiff (dsDNA) polyelectrolytes, it is treated as a bead-spring model with explicit charges. It is found that counterion condensation on both molecules is chain length dependent. The distributions of positions of the nongrafted end monomer for ssDNA and dsDNA indicates a possibility for distinguishing the two states in DNA array technologies.

Original language	English
Pages (from-to)	3855-3860
Number of pages	6
Journal	Journal of Chemical Physics
Volume	118
Issue number	8
DOIs	https://doi.org/10.1063/1.1540098
State	Published - Feb 22 2003
Externally published	Yes

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title = "Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA",

abstract = "An investigation on the structure of a single, grafted polyelectrolyte, DNA by molecular dynamics simulations is presented. By using parametrizations of both flexible (ssDNA) and stiff (dsDNA) polyelectrolytes, it is treated as a bead-spring model with explicit charges. It is found that counterion condensation on both molecules is chain length dependent. The distributions of positions of the nongrafted end monomer for ssDNA and dsDNA indicates a possibility for distinguishing the two states in DNA array technologies.",

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AB - An investigation on the structure of a single, grafted polyelectrolyte, DNA by molecular dynamics simulations is presented. By using parametrizations of both flexible (ssDNA) and stiff (dsDNA) polyelectrolytes, it is treated as a bead-spring model with explicit charges. It is found that counterion condensation on both molecules is chain length dependent. The distributions of positions of the nongrafted end monomer for ssDNA and dsDNA indicates a possibility for distinguishing the two states in DNA array technologies.

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Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA

Abstract

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