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A semi-empirical molecular orbital scheme to study electron transfer in iron-sulphur proteins.

Authors
Journal
Biochemical Society Transactions
0300-5127
Publisher
Portland Press
Publication Date
Source
Legacy
Disciplines
  • Biology

Abstract

We describe the use of the semi-empirical MO method PM3 (parametric method 3) to study the electronic structure of iron-sulfur proteins. We first develop appropriate parameters to describe models of the redox site of rubredoxins, followed by some preliminary calcns. of multinuclear iron systems of relevance to hydrogenases. [on SciFinder (R)]

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