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 publicationAIP Conference Proceedings
    PublisherAmerican Institute of Physics Inc.
    Pages185-186
    Number of pages2
    Volume1566
    ISBN (Print)9780735411944
    DOIs
    Publication statusPublished - 2013
    Event31st International Conference on the Physics of Semiconductors, ICPS 2012 - Zurich
    Duration: 2012 Jul 292012 Aug 3

    Other

    Other31st International Conference on the Physics of Semiconductors, ICPS 2012
    CityZurich
    Period12/7/2912/8/3

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    Keywords

    • Molecular Dynamics
    • Nanoring
    • Nanotube
    • Peptide Nanostructures

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Cite this

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