Research
Lukasz Jaremko’s MD3 (Molecular Diagnostics and Drug Discovery) lab deciphers disease‑causing molecular mechanisms, primarily in cancer, at atomic and sub‑atomic resolution to enable therapeutic intervention and translational innovation. Moving beyond static structures, we link protein architecture, interactions, and dynamics to function and use those mechanistic insights to assess draggability and guide ligand development. The MD3 team pursues targeted drug design with innovative experimental and AI‑augmented structure‑dynamics approaches to capture alternative states and cryptic, dynamics‑dependent pockets, identify and validate disease‑relevant targets, and design rational probes, lead compounds, and therapeutics for challenging targets, including protein-protein interfaces. We also develop high‑sensitivity spectroscopy and targeted metabolomics to support biomarker and natural‑product discovery and small‑molecule screening, and we collaborate with academic and industry partners to advance assays, curate compound collections, and expand the druggable genome.