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Effect of Bending Rigidity on the Knotting of a Polymer under Tension

[Image: see text] A coarse-grained computational model is used to investigate how the bending rigidity of a polymer under tension affects the formation of a trefoil knot. Thermodynamic integration techniques are applied to demonstrate that the free-energy cost of forming a knot has a minimum at nonz...

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Detalles Bibliográficos
Autores principales: Matthews, Richard, Louis, Ard A., Likos, Christos N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3560425/
https://www.ncbi.nlm.nih.gov/pubmed/23378936
http://dx.doi.org/10.1021/mz300493d
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author Matthews, Richard
Louis, Ard A.
Likos, Christos N.
author_facet Matthews, Richard
Louis, Ard A.
Likos, Christos N.
author_sort Matthews, Richard
collection PubMed
description [Image: see text] A coarse-grained computational model is used to investigate how the bending rigidity of a polymer under tension affects the formation of a trefoil knot. Thermodynamic integration techniques are applied to demonstrate that the free-energy cost of forming a knot has a minimum at nonzero bending rigidity. The position of the minimum exhibits a power-law dependence on the applied tension. For knotted polymers with nonuniform bending rigidity, the knots preferentially localize in the region with a bending rigidity that minimizes the free energy.
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spelling pubmed-35604252013-02-01 Effect of Bending Rigidity on the Knotting of a Polymer under Tension Matthews, Richard Louis, Ard A. Likos, Christos N. ACS Macro Lett [Image: see text] A coarse-grained computational model is used to investigate how the bending rigidity of a polymer under tension affects the formation of a trefoil knot. Thermodynamic integration techniques are applied to demonstrate that the free-energy cost of forming a knot has a minimum at nonzero bending rigidity. The position of the minimum exhibits a power-law dependence on the applied tension. For knotted polymers with nonuniform bending rigidity, the knots preferentially localize in the region with a bending rigidity that minimizes the free energy. American Chemical Society 2012-11-08 2012-11-20 /pmc/articles/PMC3560425/ /pubmed/23378936 http://dx.doi.org/10.1021/mz300493d Text en Copyright © 2012 American Chemical Society Terms of Use (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html)
spellingShingle Matthews, Richard
Louis, Ard A.
Likos, Christos N.
Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title_full Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title_fullStr Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title_full_unstemmed Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title_short Effect of Bending Rigidity on the Knotting of a Polymer under Tension
title_sort effect of bending rigidity on the knotting of a polymer under tension
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3560425/
https://www.ncbi.nlm.nih.gov/pubmed/23378936
http://dx.doi.org/10.1021/mz300493d
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