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Molecular dynamics simulations of polymer translocations

Randel, Richard, Loebl, Hannah C. and Matthai, Clarence Cherian 2004. Molecular dynamics simulations of polymer translocations. Macromolecular Theory and Simulations 13 (5) , pp. 387-391. 10.1002/mats.200300019

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Molecular dynamics simulation studies of the translocation of charged homopolymers of length, N, driven by an electric potential gradient through a channel have been performed. We find that the translocation time, τ, displays an inverse power dependence on the temperature of the simulation τ ∼ (T − T0)−7/4, which is in very good agreement with experimental results. In addition, the dependence of τ on the driving field strength and the velocity of translocation on the polymer length N have also been obtained. The results suggest that such minimalist models are useful in modelling biological processes and that the molecular dynamics method is a suitable approach for carrying out these simulations.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Physics and Astronomy
Subjects: Q Science > QC Physics
Uncontrolled Keywords: DNA molecules; modeling; molecular dynamics; polymer translocation
Publisher: Wiley
ISSN: 1022-1344
Last Modified: 04 Jun 2017 05:03

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