Profile
Tavina Offutt is a doctoral candidate in the Department of Chemistry and Biochemistry at the University of California, San Diego. Her dissertation work is centered on gaining insight into the dynamics of proteins that are implicated in cancer, and harnessing this knowledge to the end of drug discovery. Since proteins are dynamic in nature, it is important to understand these dynamic characteristics in targeting them with drug molecules. Computational tools such as of molecular dynamics (MD) simulations can provide snapshots of how the atoms within the protein move over time. These MD conformations can provide insight into the function of proteins, and reveal novel “druggable” pockets. Her research utilizes MD to model the flexibility of two important cancer targets: protein kinases and p53. Using these models, her research assesses if including different MD snapshots enhances virtual screening against potential protein kinase inhibitors. She also uses MD to understand how p53 behaves when cancerous, and how its normal function is restored in the presence of a drug candidate. Her long-term goal is to understand how the conformational landscapes of proteins under normal conditions and in diseased states differ.
