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.