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Magnetic Resonance spectroscopy determines the structures of molecules ranging from small chemicals to macromolecular proteins and nucleic acids. It is particularly useful for the analysis of proteins that cannot be crystallised and for investigating interactions between proteins, biological membranes and ligands, including potential new drugs. The Bio21 Institute's substantial Magnetic Resonance facility is one of Australia's leading Magnetic Resonance centres.

At the Bio21 Institute, Magnetic Resonance is primarily used for investigating structures of potential drug and pesticide targets, protein pharmaceuticals and include metabolite biomarkers of disease as well as interactions of proteins with their specific ligands (including candidates drugs) and, where relevant, their target membranes. Magnetic Resonance capability is also important to a range of analytical and synthetic chemistry applications.