Current collaborators include AstraZeneca, MedChemica and the NC3Rs.
Current projects involve:
- Investigating the thermodynamics and kinetics of protein-ligand binding
- Understanding and applying the reactions of boron-containing compounds in synthetic and medicinal chemistry
- Quantifying the role of molecular shape in protein-ligand binding
- Optimising the application of matched molecular pairs analysis
- Studying the substrate recognition properties of the cytochromes P450
- Modelling the stability of common reagents used in the pharmaceutical industry
- Understanding the factors affecting the ability of metal-binding groups to selectively bind to metalloprotein targets.
Our research is primarily computational but driven by close collaborations with medicinal, physical and synthetic chemists.