Journal of Physical Chemistry, Vol.97, No.50, 13078-13082, 1993
Correlation Between Theory and Experiment in Electron-Transfer Reactions in Proteins - Electronic Couplings in Modified Cytochrome-C and Myoglobin Derivatives
The artificial intelligence-superexchange method of estimating the long-range electronic coupling in proteins that we have developed previously is used to study electron-transfer reactions in Ru-modified cytochrome c and myoglobin derivatives. Good correlations between theoretical and experimental mte constants are obtained using the present method. Amino acid paths for electron transfer are analyzed.