Electrical field manipulation of peptide nanotube at finite temperature (a DFT/MD study)

Richard Clark, Daiki Igami, Kyozaburo Takeda

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

1 Citation (Scopus)

Abstract

The effect of applied electric field on a base class of peptide nanotubes (PNT) is simulated using molecular dynamics (MD). A conformational change in the base ring components is found at critical electric field strength, resulting in macroscopic changes to the nanotube (overall length, torque, pore radius, dipole, etc). The effect of temperature, solvent, and computational method is explored.

Original languageEnglish
Title of host publicationPhysics of Semiconductors - Proceedings of the 31st International Conference on the Physics of Semiconductors, ICPS 2012
PublisherAmerican Institute of Physics Inc.
Pages185-186
Number of pages2
ISBN (Print)9780735411944
DOIs
Publication statusPublished - 2013 Jan 1
Event31st International Conference on the Physics of Semiconductors, ICPS 2012 - Zurich, Switzerland
Duration: 2012 Jul 292012 Aug 3

Publication series

NameAIP Conference Proceedings
Volume1566
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference31st International Conference on the Physics of Semiconductors, ICPS 2012
CountrySwitzerland
CityZurich
Period12/7/2912/8/3

Keywords

  • Molecular Dynamics
  • Nanoring
  • Nanotube
  • Peptide Nanostructures

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Clark, R., Igami, D., & Takeda, K. (2013). Electrical field manipulation of peptide nanotube at finite temperature (a DFT/MD study). In Physics of Semiconductors - Proceedings of the 31st International Conference on the Physics of Semiconductors, ICPS 2012 (pp. 185-186). (AIP Conference Proceedings; Vol. 1566). American Institute of Physics Inc.. https://doi.org/10.1063/1.4848347