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Theory of electron transfer reactions in blue-copper proteins

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The rates of electron transfer reactions in azurin and plastocyanin are calculated with the Intersecting-State Model and compared with experimental data. The calculated distance, free-energy and temperature dependencies of the intraprotein rates in Ru-modified azurins are in good agreement with the experiment. These calculations do not require the fitting of any parameters. Significant tunneling contributions to the room temperature rate are found in some systems. In some cases the symmetry or the orientation of the donor and acceptor orbitals are not favorable and the ET rates are reduced by factors exceeding 4 orders of magnitude.

Affiliations: 1: Chemistry Department, University of Coimbra, 3000 Coimbra, Portugal

10.1163/156856701745168
/content/journals/10.1163/156856701745168
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/content/journals/10.1163/156856701745168
2017-11-22

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