Literature DB >> 32935829

Topoly: Python package to analyze topology of polymers.

Pawel Dabrowski-Tumanski, Pawel Rubach, Wanda Niemyska, Bartosz Ambrozy Gren, Joanna Ida Sulkowska.   

Abstract

The increasing role of topology in (bio)physical properties of matter creates a need for an efficient method of detecting the topology of a (bio)polymer. However, the existing tools allow one to classify only the simplest knots and cannot be used in automated sample analysis. To answer this need, we created the Topoly Python package. This package enables the distinguishing of knots, slipknots, links and spatial graphs through the calculation of different topological polynomial invariants. It also enables one to create the minimal spanning surface on a given loop, e.g. to detect a lasso motif or to generate random closed polymers. It is capable of reading various file formats, including PDB. The extensive documentation along with test cases and the simplicity of the Python programming language make it a very simple to use yet powerful tool, suitable even for inexperienced users. Topoly can be obtained from https://topoly.cent.uw.edu.pl.
© The Author(s) 2020. Published by Oxford University Press.

Entities:  

Keywords:  DNA; cyclotide; graph; knot; lasso; protein

Year:  2021        PMID: 32935829     DOI: 10.1093/bib/bbaa196

Source DB:  PubMed          Journal:  Brief Bioinform        ISSN: 1467-5463            Impact factor:   11.622


  7 in total

1.  A statistical approach to knot confinement via persistent homology.

Authors:  Daniele Celoria; Barbara I Mahler
Journal:  Proc Math Phys Eng Sci       Date:  2022-05-25       Impact factor: 3.213

2.  Dynamic and facilitated binding of topoisomerase accelerates topological relaxation.

Authors:  Davide Michieletto; Yair A G Fosado; Elias Melas; Marco Baiesi; Luca Tubiana; Enzo Orlandini
Journal:  Nucleic Acids Res       Date:  2022-04-26       Impact factor: 19.160

3.  Efficient compressed database of equilibrated configurations of ring-linear polymer blends for MD simulations.

Authors:  Katsumi Hagita; Takahiro Murashima; Masao Ogino; Manabu Omiya; Kenji Ono; Tetsuo Deguchi; Hiroshi Jinnai; Toshihiro Kawakatsu
Journal:  Sci Data       Date:  2022-02-08       Impact factor: 6.444

4.  AlphaKnot: server to analyze entanglement in structures predicted by AlphaFold methods.

Authors:  Wanda Niemyska; Pawel Rubach; Bartosz A Gren; Mai Lan Nguyen; Wojciech Garstka; Fernando Bruno da Silva; Eric J Rawdon; Joanna I Sulkowska
Journal:  Nucleic Acids Res       Date:  2022-05-24       Impact factor: 19.160

5.  Geometric Predictors of Knotted and Linked Arcs.

Authors:  Joseph L Sleiman; Robin H Burton; Michele Caraglio; Yair Augusto Gutierrez Fosado; Davide Michieletto
Journal:  ACS Polym Au       Date:  2022-07-08

6.  Random Knotting in Fractal Ring Polymers.

Authors:  Phillip M Rauscher; Juan J de Pablo
Journal:  Macromolecules       Date:  2022-09-08       Impact factor: 6.057

7.  Knot Factories with Helical Geometry Enhance Knotting and Induce Handedness to Knots.

Authors:  Renáta Rusková; Dušan Račko
Journal:  Polymers (Basel)       Date:  2022-10-07       Impact factor: 4.967

  7 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.