
Research
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Our work combines molecular-scale simulations with large-scale clinical data analysis to uncover mechanisms of disease and accelerate therapeutic discovery.
We develop AI-driven tools for fragment-based drug design, including transformer models that encode molecular structure for improved prediction, and apply them to high-priority targets like KRAS-driven pancreatic adenocarcinoma. On the immunology side, we design TCR-BiTE bispecific engagers targeting KRAS G12V neoantigens and investigate how bacterial metabolites in the gut microbiome modulate T-cell responses in colorectal cancer. We also explore drug safety questions, including GLP-1 receptor agonist safety signals and clozapine-HLA interactions in agranulocytosis, alongside clinical ML applications like cluster B personality disorder patient and quality outcomes.
7+
years and counting!


Students from our lab have gotten into...





