Siddarth, Prabha and Marcus, R. A. (1990) Electron-transfer reactions in proteins: a calculation of electronic coupling. Journal of Physical Chemistry, 94 (22). pp. 8430-8434. ISSN 0022-3654. https://resolver.caltech.edu/CaltechAUTHORS:20150513-151932588
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Abstract
The distance and medium dependences of the electronic coupling for electron-transfer reactions in proteins (particularly the ruthenated myoglobins studied by Gray et al.) are calculated. An extended-Hückel method is used to treat individually the donor, the acceptor, and the intervening protein. A search method is used to select a subset (~15-20) of the approximately 150 amino acid residues as being the most relevant for the electron transfer. Approximate agreement is found between ratios of experimental matrix elements (approximated as ratios of square roots of rate constants) and of calculated electronic matrix elements. No adjustable parameters were introduced in the diagonalization. Only parameters available in the literature from other (non-electron-transfer) sources were employed.
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| Additional Information: | © 1990 American Chemical Society. Received: March 19, 1990; In Final Form: June 4, 1990. It is a pleasure to acknowledge the support of this research by the National Science Foundation. | |||||||||
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| Issue or Number: | 22 | |||||||||
| Record Number: | CaltechAUTHORS:20150513-151932588 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20150513-151932588 | |||||||||
| Official Citation: | Electron-transfer reactions in proteins: a calculation of electronic coupling Prabha. Siddarth and R. A. Marcus The Journal of Physical Chemistry 1990 94 (22), 8430-8434 DOI: 10.1021/j100385a015 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 57511 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Tony Diaz | |||||||||
| Deposited On: | 13 May 2015 22:26 | |||||||||
| Last Modified: | 22 Nov 2019 09:58 |
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