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Electron transfer contact maps

Publication ,  Journal Article
Skourtis, SS; Beratan, DN
Published in: Journal of Physical Chemistry B
February 13, 1997

An exact approach is introduced to establish and compare quantitative structure-function relationships in electron transfer proteins. The strategy is based on the idea of an electron transfer contact map and is motivated by reduced descriptions of 3D protein structure that emphasize the folded conformation (ribbon drawings, distance contact maps, and Ramachandran plots). Electron transfer contact maps render the protein-mediated electronic coupling information in a compact and transferable form. The method includes all contributions of multiple interfering tunneling pathways to the tunneling propagation and can be implemented at many levels of electronic structure theory. Contact maps are used to interpret the influence of mutations on electronic propagation in model peptides.

Duke Scholars

Published In

Journal of Physical Chemistry B

DOI

ISSN

1520-6106

Publication Date

February 13, 1997

Volume

101

Issue

7

Start / End Page

1215 / 1234

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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Skourtis, S. S., & Beratan, D. N. (1997). Electron transfer contact maps. Journal of Physical Chemistry B, 101(7), 1215–1234. https://doi.org/10.1021/jp9619245
Skourtis, S. S., and D. N. Beratan. “Electron transfer contact maps.” Journal of Physical Chemistry B 101, no. 7 (February 13, 1997): 1215–34. https://doi.org/10.1021/jp9619245.
Skourtis SS, Beratan DN. Electron transfer contact maps. Journal of Physical Chemistry B. 1997 Feb 13;101(7):1215–34.
Skourtis, S. S., and D. N. Beratan. “Electron transfer contact maps.” Journal of Physical Chemistry B, vol. 101, no. 7, Feb. 1997, pp. 1215–34. Scopus, doi:10.1021/jp9619245.
Skourtis SS, Beratan DN. Electron transfer contact maps. Journal of Physical Chemistry B. 1997 Feb 13;101(7):1215–1234.
Journal cover image

Published In

Journal of Physical Chemistry B

DOI

ISSN

1520-6106

Publication Date

February 13, 1997

Volume

101

Issue

7

Start / End Page

1215 / 1234

Related Subject Headings

  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences