PREDOX - Redox protein interactions, electron transfer and dynamics
Redox proteins perform reduction and oxidation reactions. These proteins generally consist of a protein part and a non-protein cofactor, and often require interactions with other proteins for their function. The mechanisms by which redox proteins function are complex and are not well understood. The aim of this project is to investigate the mechanism of redox proteins by computational means. Procedures for computational protein docking and estimation of electron-transfer properties will be developed and tested. Specific application will be made to cytochrome P450 enzymes and their electron-transfer protein partners. As well as illuminating this particular protein system, this project should provide computational approaches of general value for studying complex multi-protein interactions.