Free radical formation and dynamics in metabolic protein complexes

Vejleder: Peter Jensen Husen

  Several protein complexes involved in the redox chemistry of the metabolic pathways in cells may also be a source of potentially harmful free radicals such as superoxide as a by-product. As the enzymatic function of the metabolic complexes involves electron transfer processes, stray reactions at their active sites could lead to free radical formation. Metabolic free radical production is believed to be a factor in aging and age related diseases, and this project will attempt to elucidate some possible superoxide formation mechanisms and following fate of the newly formed radicals.


The student will be involved in computational modeling of various aspects of superoxide formation and the related dynamics in a complex biomolecular environment using classical molecular dynamics simulations, quantum chemical computations or a combination. Of interest is both the possible paths and binding sites of oxygen molecules within a protein complex, the electron transfer itself and the exit path and identification of possible reaction partners of superoxide.

More information about the project available at the Quantum Biology and Computational Physics website: www.quantbiolab.com

This project is relevant for physics og chemistry.