Small Molecule Structure Determination

The Small Molecule Structure Determination capability enables the study of compounds using nuclear magnetic resonance (NMR) spectroscopy to provide information of how atoms connect to each other within a molecule and how molecules interact with each other. NMR is an important tool used in characterizing the structure of compounds for a range of applications, e.g., in the development of novel pharmaceuticals, and is a complementary to other biophysical characterisation methods.


This capability is home to a range of instrumentation listed here

Bruker High Field 700 MHz Avance III NMR Spectrometer - equipped with a sample jet loader for up to 480 samples, it enables structure determination of isotopically enriched proteins, peptides and biomolecular complexes (e.g. protein-drug complexes) in aqueous solution.

Bruker 500 MHz Avance III UltraShield Plus NMR Spectrometer - equipped with an inverse room temperature 5 mm broadband gradient probe and a MAS solid state probe and used for non-destructive analysis of solids and liquids and automated processing of up to 16 samples

Bruker 400 MHz Avance III HD Ultrasheild Ascend NMR Spectrometer - equipped with a room temperature 5 mm broadband gradient probe it has the capacity for automated processing of up to 60 samples


There are a broad range of research questions that can be addressed within this capability including:

  • characterisation of the structure and conformation of small molecules, compounds, chemicals, metabolites, drugs, etc
  • three-dimensional structural information for structure-based drug design


Contact us to discuss your research applications:

  • Research Contracts for bespoke projects
  • Academic collaboration

Contact Us

For more information and to discuss your requirements please contact:

Dr Jason Dutton