Date of Award

2013

Degree Type

Dissertation

Degree Name

Ph.D.

Department

Chemistry and Biochemistry

First Advisor

James W Gauld

Keywords

Computational Chemistr, Density Functional Theory, Heme Biochemistry, Iron Biochemistry, Metal-Ion Biochemistry, Redox Catalysis

Rights

CC BY-NC-ND 4.0

Abstract

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.

Share

COinS