Hydrogen bonds and asymmetrical heat diffusion in α-helices. A computational analysis

German A. Miño-Galaz, Gonzalo Gutierrez

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

In this work, we report the heat rectifying capability of α-helices. Using molecular dynamics simulations we show an increased thermal diffusivity in the C-Terminal to N-Terminal direction of propagation. The origin of this effect seems to be a function of the particular orientation of the hydrogen bonds stabilizing these α-helices. Our results may be relevant for the design of thermal rectification devices for materials science and lend support to the role of normal length hydrogen bonds in the asymmetrical energy flow in proteins.

Original languageEnglish
Pages (from-to)16-22
Number of pages7
JournalChemical Physics Letters
Volume635
DOIs
Publication statusPublished - 2 Jul 2015
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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