Maral Aminpour, PhD
I am an Assistant Professor in the Department of Biomedical Engineering at the University of Alberta.
My research focuses on Computational Biophysics and AI-driven drug discovery, with an emphasis on developing physics-based machine learning models to predict protein–protein and protein–ligand interactions (PPI/PLI), as well as the effects of mutations on these interactions. I integrate molecular modeling techniques—used in rational drug design—to generate high-quality structural and energetic data that directly inform and enhance machine learning models. My interests include precision medicine, drug repurposing, drug optimizing, generative AI for de novo molecule design, and iterative learning frameworks that incorporate experimental feedback. The diseases I have focused on include cancer, neurodegenerative disorders such as Alzheimer’s disease, and COVID-19.