Fathima Hameed Cherilakkudy, PhD in Chemistry, 2026
I joined the Computational and Theoretical Chemistry research group at Michigan Technological University in Spring 2022. Since then, my research has focused on understanding the catalytic mechanisms of biologically important metalloenzymes using computational chemistry and molecular modeling. Through molecular dynamics simulations and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations, I investigate how enzymes control chemical reactivity in processes related to epigenetic modification, DNA repair, and natural product biosynthesis. This work has allowed me to develop expertise in computational enzymology while strengthening my passion for research and scientific discovery.
During my Ph.D., I have worked on several projects involving Fe(II)/2-oxoglutarate-dependent enzymes, including studies of the human epigenetic modifying enzyme ALKBH5, the natural product biosynthetic enzyme CTB9, and the DNA repair enzymes AlkB and ALKBH2. My dissertation research aims to uncover how enzyme structure, dynamics, and the surrounding protein environment influence catalytic selectivity and reaction mechanisms. By combining molecular dynamics simulations with QM/MM calculations, my work seeks to provide molecular-level insights into enzyme catalysis that may contribute to a broader understanding of biological function and the design of improved biocatalytic strategies.
I am sincerely grateful to the Graduate Dean Awards Advisory Panel for selecting me for the Finishing Fellowship. I would also like to express my heartfelt appreciation to my advisor, Dr. Tatyana G. Karabencheva-Christova, for her continuous guidance, encouragement, and support throughout my Ph.D. journey. I am excited to complete my dissertation and continue pursuing my passion for computational chemistry, research, teaching, and mentoring the next generation of scientists.