A predictive theoretical model for electron tunneling pathways in proteins

Published

Journal Article

A practical method is presented for calculating the dependence of electron transfer rates on details of the protein medium intervening between donor and acceptor. The method takes proper account of the relative energetics and mutual interactions of the donor, acceptor, and peptide groups. It also provides a quantitative search scheme for determining the important tunneling pathway(s) [specific sequence (s) of localized bonding and antibonding orbitals of the protein which dominate the donor-acceptor electronic coupling] in native and tailored proteins, provides a tool for designing new proteins with prescribed electron transfer rates, and provides a consistent description of observed electron transfer rates in existing redox labeled metalloproteins and small molecule model compounds. © 1990 American Institute of Physics.

Full Text

Duke Authors

Cited Authors

  • Onuchic, JN; Beratan, DN

Published Date

  • January 1, 1990

Published In

Volume / Issue

  • 92 / 1

Start / End Page

  • 722 - 733

International Standard Serial Number (ISSN)

  • 0021-9606

Digital Object Identifier (DOI)

  • 10.1063/1.458426

Citation Source

  • Scopus