Computational Design of Superhelices by Local Change of the Intrinsic Curvature

Pedro E. S. Silva, Maria Helena Godinho, Fernão Vístulo de Abreu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Helices appear in nature at many scales, ranging from molecules to tendrils in plants. Organisms take advantage of the helical shape to fold, propel and assemble. For this reason, several applications in micro and nanorobotics, drug delivery and soft-electronics have been suggested. On the other hand, biomolecules can form complex tertiary structures made with helices to accomplish many different functions. A particular well-known case takes place during cell division when DNA, a double helix, is packaged into a super-helix—i.e., a helix made of helices—to prevent DNA entanglement. DNA super-helix formation requires auxiliary histone molecules, around which DNA is wrapped, in a “beads on a string” structure. The idea of creating superstructures from simple elastic filaments served as the inspiration to this work. Here we report a method to produce filaments with complex shapes by periodically creating strains along the ribbons. Filaments can gain helical shapes, and their helicity is ruled by the asymmetric contraction along the main axis. If the direction of the intrinsic curvature is locally changed, then a tertiary structure can result, similar to the DNA wrapped structure. In this process, auxiliary structures are not required and therefore new methodologies to shape filaments, of interest to nanotechnology and biomolecular science, are proposed.

Original languageEnglish
Title of host publicationComputational Science – ICCS 2019 - 19th International Conference, Proceedings
EditorsJoão M. F. Rodrigues, Pedro J. S. Cardoso, Jânio Monteiro, Roberto Lam, Valeria V. Krzhizhanovskaya, Michael H. Lees, Peter M. A. Sloot, Jack J. Dongarra
Place of PublicationCham
PublisherSpringer
Pages483-491
Number of pages9
ISBN (Electronic)978-3-030-22734-0
ISBN (Print)978-3-030-22733-3
DOIs
Publication statusPublished - 2019
Event19th International Conference on Computational Science, ICCS 2019 - Faro, Portugal
Duration: 12 Jun 201914 Jun 2019

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
PublisherSpringer
Volume11536 LNCS
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference19th International Conference on Computational Science, ICCS 2019
CountryPortugal
CityFaro
Period12/06/1914/06/19

Keywords

  • Design
  • DNA folding
  • Synthesis and processing
  • Tendril perversions

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  • Cite this

    Silva, P. E. S., Godinho, M. H., & de Abreu, F. V. (2019). Computational Design of Superhelices by Local Change of the Intrinsic Curvature. In J. M. F. Rodrigues, P. J. S. Cardoso, J. Monteiro, R. Lam, V. V. Krzhizhanovskaya, M. H. Lees, P. M. A. Sloot, ... J. J. Dongarra (Eds.), Computational Science – ICCS 2019 - 19th International Conference, Proceedings (pp. 483-491). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 11536 LNCS). Cham: Springer. https://doi.org/10.1007/978-3-030-22734-0_35