Joseph Ivanic, Ph.D.
Abstract
Computational chemistry is a vital tool in the development of diagnostic and therapeutic agents for cancer and other diseases. Quantum chemistry in particular has been instrumental in the design and enhancement of red-shifted fluorophores & bioluminescent agents, including for multicolor in vivo imaging, and near-infrared light-activated drug release systems. Additionally, quantum chemistry has been used to rationalize diverse reaction rates of warheads targeting cysteine residues (covalent binding), sequence dependence upon DNA mutations leading to lung cancer, identification of chemically modified cytidines in RNA, and nitric oxide release rates of amine-based diazeniumdiolates. An overview of these projects with case studies will be presented.
When: April 10, 2026
Where: North Classroom 1535
Time: 11:00 am - 12:00pm