Energy is a universal commodity essential for every living creature. Initially consumed with food, it undergoes a set of chemical transformations, being further used for building biomolecules and extracting organic wastes. One of the key elements in this process is the long-range electron transfer, which can couple together chemical reactions located far away from each other. If this process gets out of order, different disorders can occur, such as Alzheimer's, or cancer. In the framework of this project, we will develop effective analysis tools to study electron transfer processes at the atomistic scale. In combination with cutting-edge simulation techniques, the elaborated methodology will be applied for studying redox-active proteins responsible for the transformation of atmospheric gases, particularly, of hydrogen gas and carbon dioxide. The project can have important industrial implications including biocatalysis and sustainable energy technologies.

2024

2028