Computational Insights into Redox and Metal Ion Biochemistry

Redox reactions are ubiquitous and essential in nature. The enzymes that catalyse these reactions enable the efficient flow of electrons within organisms as well synthesising essential biomolecules. Importantly, these enzymes ensure that the respective cellular chemical reactions occur at life-sustainable rates. Notably, many enzymes that utilize such reactions for catalysis require cofactors and/or coenzymes that may include metal ions. In this thesis, redox and metal-ion biochemistry are investigated using computational methods