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Knot Formation on DNA Pushed Inside Chiral Nanochannels

We performed coarse-grained molecular dynamics simulations of DNA polymers pushed inside infinite open chiral and achiral channels. We investigated the behavior of the polymer metrics in terms of span, monomer distributions and changes of topological state of the polymer in the channels. We also com...

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Detalles Bibliográficos
Autores principales: Rusková, Renáta, Račko, Dušan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10611388/
https://www.ncbi.nlm.nih.gov/pubmed/37896430
http://dx.doi.org/10.3390/polym15204185
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author Rusková, Renáta
Račko, Dušan
author_facet Rusková, Renáta
Račko, Dušan
author_sort Rusková, Renáta
collection PubMed
description We performed coarse-grained molecular dynamics simulations of DNA polymers pushed inside infinite open chiral and achiral channels. We investigated the behavior of the polymer metrics in terms of span, monomer distributions and changes of topological state of the polymer in the channels. We also compared the regime of pushing a polymer inside the infinite channel to the case of polymer compression in finite channels of knot factories investigated in earlier works. We observed that the compression in the open channels affects the polymer metrics to different extents in chiral and achiral channels. We also observed that the chiral channels give rise to the formation of equichiral knots with the same handedness as the handedness of the chiral channels.
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spelling pubmed-106113882023-10-28 Knot Formation on DNA Pushed Inside Chiral Nanochannels Rusková, Renáta Račko, Dušan Polymers (Basel) Article We performed coarse-grained molecular dynamics simulations of DNA polymers pushed inside infinite open chiral and achiral channels. We investigated the behavior of the polymer metrics in terms of span, monomer distributions and changes of topological state of the polymer in the channels. We also compared the regime of pushing a polymer inside the infinite channel to the case of polymer compression in finite channels of knot factories investigated in earlier works. We observed that the compression in the open channels affects the polymer metrics to different extents in chiral and achiral channels. We also observed that the chiral channels give rise to the formation of equichiral knots with the same handedness as the handedness of the chiral channels. MDPI 2023-10-22 /pmc/articles/PMC10611388/ /pubmed/37896430 http://dx.doi.org/10.3390/polym15204185 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Rusková, Renáta
Račko, Dušan
Knot Formation on DNA Pushed Inside Chiral Nanochannels
title Knot Formation on DNA Pushed Inside Chiral Nanochannels
title_full Knot Formation on DNA Pushed Inside Chiral Nanochannels
title_fullStr Knot Formation on DNA Pushed Inside Chiral Nanochannels
title_full_unstemmed Knot Formation on DNA Pushed Inside Chiral Nanochannels
title_short Knot Formation on DNA Pushed Inside Chiral Nanochannels
title_sort knot formation on dna pushed inside chiral nanochannels
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10611388/
https://www.ncbi.nlm.nih.gov/pubmed/37896430
http://dx.doi.org/10.3390/polym15204185
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