NMR spectroscopy and protein crystallography are two powerful techniques for screening fragments in fragment-based drug discovery and design. They enable the identification of weak binders to proteins, revealing a detailed map of molecular interactions within the fragment-protein complex. Fragment screening uses a small library of molecular fragments with molecular weights in the 100-300 Da range. Additionally, the three-dimensional structure guides the expansion from hits to leads and the optimization of compounds’ affinities and specificities.
