Fragment Screening and Structural Validation
This service offers fragment-based discovery through state-of-the-art NMR- and X-ray-based pipelines. X-ray crystallography provides high-resolution binding information within protein active sites, supporting rational fragment elaboration and structure-guided design. NMR spectroscopy detects weak, transient interactions and maps binding epitopes in challenging targets. Protein–ligand complexes are characterised at atomic resolution, integrating structural insights with mass spectrometry and additional biophysical assays for orthogonal validation. Outputs include validated fragment hits, experimentally confirmed interactions, and prioritised candidates with detailed structural annotations for subsequent hit-to-lead development.
