WASP: a software package for correctly characterizing the topological development of ribbon structures.
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
15 01 2021
15 01 2021
Historique:
received:
17
09
2020
accepted:
17
12
2020
entrez:
16
1
2021
pubmed:
17
1
2021
medline:
8
9
2021
Statut:
epublish
Résumé
We introduce the Writhe Application Software Package (WASP) which can be used to characterisze the topology of ribbon structures, the underlying mathematical model of DNA, Biopolymers, superfluid vorticies, elastic ropes and magnetic flux ropes. This characterization is achieved by the general twist-writhe decomposition of both open and closed ribbons, in particular through a quantity termed the polar writhe. We demonstrate how this decomposition is far more natural and straightforward than artificial closure methods commonly utilized in DNA modelling. In particular, we demonstrate how the decomposition of the polar writhe into local and non-local components distinctly characterizes the local helical structure and knotting/linking of the ribbon. This decomposition provides additional information not given by alternative approaches. As example applications, the WASP routines are used to characterise the evolving topology (writhe) of DNA minicircle and open ended plectoneme formation magnetic/optical tweezer simulations, and it is shown that the decomponsition into local and non-local components is particularly important for the detection of plectonemes. Finally it is demonstrated that a number of well known alternative writhe expressions are actually simplifications of the polar writhe measure.
Identifiants
pubmed: 33452342
doi: 10.1038/s41598-020-80851-8
pii: 10.1038/s41598-020-80851-8
pmc: PMC7811023
doi:
Substances chimiques
Biopolymers
0
DNA, Superhelical
0
DNA
9007-49-2
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Langues
eng
Sous-ensembles de citation
IM
Pagination
1527Subventions
Organisme : NIGMS NIH HHS
ID : R35 GM119647
Pays : United States
Références
J Phys Chem Lett. 2017 Nov 16;8(22):5479-5486
pubmed: 29065685
J Chem Phys. 2015 Jun 21;142(23):234901
pubmed: 26093573
Phys Rev E. 2019 May;99(5-1):052503
pubmed: 31212427
Biopolymers. 2000 Oct 15;54(5):307-17
pubmed: 10935971
Macromolecules. 2012 Apr 10;45(7):3188-3196
pubmed: 23526178
Biophys J. 2011 Apr 20;100(8):2016-23
pubmed: 21504738
J Chem Theory Comput. 2012 Jul 10;8(7):2506-2520
pubmed: 23197943
Nat Commun. 2016 Mar 22;7:11045
pubmed: 27001929
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jan;85(1 Pt 1):011908
pubmed: 22400592
Annu Rev Biophys Biomol Struct. 2002;31:361-92
pubmed: 11988475
Phys Rev E. 2018 Jul;98(1-1):013204
pubmed: 30110812
J Biomol Struct Dyn. 1989 Feb;6(4):707-14
pubmed: 2619935
J Chem Theory Comput. 2015 Jun 9;11(6):2768-75
pubmed: 26575569
PLoS Comput Biol. 2014 Aug 07;10(8):e1003756
pubmed: 25102226
Phys Rev Lett. 2010 Oct 8;105(15):158101
pubmed: 21230940
Med Image Anal. 2010 Apr;14(2):149-59
pubmed: 20004607
Biophys J. 2007 Jun 1;92(11):3817-29
pubmed: 17351000
Sol Phys. 2017;292(1):25
pubmed: 32355368
Biophys J. 2015 Jul 7;109(1):135-43
pubmed: 26153710
Sci Rep. 2015 Mar 30;5:9224
pubmed: 25820408
Nucleic Acids Res. 2017 Jul 27;45(13):7633-7642
pubmed: 28609782
Science. 2020 Jan 3;367(6473):71-75
pubmed: 31896713
Proc Natl Acad Sci U S A. 1978 Aug;75(8):3557-61
pubmed: 16592550
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Oct;78(4 Pt 1):041912
pubmed: 18999460
Phys Rev Lett. 2011 Apr 1;106(13):138104
pubmed: 21517425
Proc Natl Acad Sci U S A. 1971 Apr;68(4):815-9
pubmed: 5279522
J Chem Phys. 2010 Jan 28;132(4):045101
pubmed: 20113067
Nat Commun. 2015 Oct 12;6:8440
pubmed: 26455586