In the Rationally Designed Immunotherapeutics and Interfaces (RDI) Lab, we leverage high performance computing (HPC) to drive advancements at the intersection of computational biology, immunology, virology, and neurodegenerative disease research. Through the integration of bioinformatics and deep learning techniques with mathematical, evolutionary, and atomistic-level modeling, our aim is to unravel the complex molecular mechanisms underlying disease pathology. Harnessing these molecular-level insights, our ultimate objective is to develop innovative, clinically-translatable immunotherapies for treating a diverse array of infectious and neurological diseases. This talk will highlight our utilization of HPC resources to investigate a phenomenon known as viral tropism switching, engineer novel vaccine formulations, and design small-molecule therapeutics in the context of HIV. Furthermore, it will briefly describe our preliminary investigations into the role of key proteinprotein and protein-ligand interactions in Alzheimer’s disease, offering insights that may inform novel treatment strategies.
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