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Biological Electron Transfer Chains: Genetics, Composition and Mode of Operation pp 9–27Cite as

Protein-Mediated Electron Transfer: Pathways, Orbital Interactions, and Contact Maps

Structure-function relations for protein electron transfer

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Part of the book series: NATO ASI Series ((ASIC,volume 512))

Abstract

The theoretical framework for describing biological electron transfer (ET) reactions is well established [1,2]. Yet the key ingredients of the theory-reaction free energies, inner and outer sphere reorganization energies, and protein-mediated electronic coupling matrix elements - are not directly measurable and are challenging to compute for macromolecules. The goal of this article is to describe our efforts in the last decade to develop empirical [3–12], semiempirical [13], and ab initio methods [14] to compute electron transfer rates in proteins. Our focus is the protein-mediated electron donor-acceptor interaction. These methods were recently combined with powerful tools for analyzing electronic propagation in proteins to develop structure-function relations for bridge mediated electron transfer reactions [15,16]. Contributions in this area from other groups have been considerable as well, and were reviewed recently [2]. Using these tools, a comprehensive view of how primary, secondary, and tertiary structure (as well as protein dynamics) influence ET processes is beginning to emerge.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of Pittsburgh, Pittsburgh, PA, 15260, USA

    D. N. Beratan

  2. Department of Natural Sciences, University of Cyprus, 1678, Nicosia, Cyprus

    S. S. Skourtis

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  1. D. N. Beratan
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  2. S. S. Skourtis
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Editor information

Editors and Affiliations

  1. Leiden Institute of Chemistry, Leiden University, Leiden, The Netherlands

    G. W. Canters  & E. Vijgenboom  & 

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Beratan, D.N., Skourtis, S.S. (1998). Protein-Mediated Electron Transfer: Pathways, Orbital Interactions, and Contact Maps. In: Canters, G.W., Vijgenboom, E. (eds) Biological Electron Transfer Chains: Genetics, Composition and Mode of Operation. NATO ASI Series, vol 512. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5133-7_2

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  • DOI: https://doi.org/10.1007/978-94-011-5133-7_2

  • Publisher Name: Springer, Dordrecht

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