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Science 26 June 1987:
Vol. 236. no. 4809, pp. 1647 - 1652
DOI: 10.1126/science.3603005
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Articles

Science, Vol 236, Issue 4809, 1647-1652
Copyright © 1987 by American Association for the Advancement of Science

articles

Electron tunneling paths in proteins

A Kuki and PG Wolynes

One of the crucial issues in biological electron transfer is the determination of the role of spatially intermediate amino acid residues in controlling or directing the electronic tunneling interaction between redox sites. A quantum path integral Monte Carlo method is developed for the analysis of electronic tunneling pathways in a highly structured environment. This path integral method is applied to intramolecular electron transfer in a ruthenium-modified myoglobin that contains a tryptophan in the "line-of-flight." A principal result is the identification of the relevant cylindrical zone swept out by the tunneling electron.


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