Computational Approaches to Understanding Electron Transfer Properties of Proteins
 
Toshiko Ichiye,
School of Molecular Biosciences, Washington State University
 
A variety of computational approaches including molecular dynamics simulations, quantum chemical calculations, and bioinformatic analysis are being used to understand the molecular basis of electron transfer properties of iron-sulfur proteins.  These proteins are key in many important biological processes such as respiration and photosynthesis.
The studies presented here focus on how the protein environment affects the reduction potentials of ferredoxins.