Shi Group

Discovery and Characterisation of Protein-Small Molecule Interactions for Drug Design

Our research examines the interactions between proteins implicated in various diseases and small molecules including fragment-sized compounds and metabolites with an integrated approach that combines biophysical, biochemical, computational, and structural methods. We currently focus on enzymes and small molecules involved in the metabolism of nicotinamide adenine dinucleotide (NAD+), revealing new therapeutic targets and small-molecule modulators in neurodegeneration and other diseases.