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A predictive theoretical model for electron tunneling pathways in proteinsA 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 pathways (specific sequences of localized bonding and antibonding orbitals of the protein which dominate the donor-acceptor electronic coupling) in native and tailored proteins, a tool for designing new proteins with prescribed electron transfer rates, and a consistent description of observed electron transfer rates in existing redox labeled metalloproteins and small molecule model compounds.
Document ID
19900034364
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Onuchic, Jose Nelson
(Sao Paulo, Universidad Sao Carlos, Brazil)
Beratan, David N.
(JPL Pasadena, CA, United States)
Date Acquired
August 14, 2013
Publication Date
January 1, 1990
Publication Information
Publication: Journal of Chemical Physics
Volume: 92
ISSN: 0021-9606
Subject Category
Chemistry And Materials (General)
Accession Number
90A21419
Distribution Limits
Public
Copyright
Other

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