Yi. Kharkats et J. Ulstrup, A simple approach to the solvent reorganization Gibbs free energy in electron transfer reactions of redox metalloproteins, CHEM P LETT, 303(3-4), 1999, pp. 320-324
We discuss a simple model for the environmental reorganisation Gibbs free e
nergy, E-r, in electron transfer between a metalloprotein and a small react
ion partner. The protein is represented as a dielectric globule with low di
electric constant, the metal centres as conducting spheres, all embedded in
a continuous solvent with high dielectric constant. This model has previou
sly reproduced thermodynamic metalloprotein properties. E-r takes an analyt
ic form expressed by a continuous image charge distribution, and depends we
akly on the globular radius, indicating that repolarisation at the globule/
solvent interface contributes less to these effects than to the work terms
and driving force. (C) 1999 Elsevier Science B.V. All rights reserved.