Staff profile

Journal Article

• Molecular dynamics simulation and machine learning predict NMR shift distributions and dynamics in amorphous drug materials
  
  Guest, J. L., Fu, J., Evans, C. L., Wilson, M. R., & Hodgkinson, P. (2026). Molecular dynamics simulation and machine learning predict NMR shift distributions and dynamics in amorphous drug materials. Cell Reports Physical Science, 7(8), Article 103488. https://doi.org/10.1016/j.xcrp.2026.103488
• Crystallizing the Uncrystallizable: Insights from Extensive Screening of PROTACs
  
  Screen, M. A., McCabe, J. F., Askin, S., Guest, J. L., Hodgkinson, P., Cruz-Cabeza, A. J., Blundell, T. J., Rainer, D. N., Coles, S. J., Longcake, A., Probert, M. R., Mahon, C. S., Wilson, M. R., & Steed, J. W. (2025). Crystallizing the Uncrystallizable: Insights from Extensive Screening of PROTACs. Journal of the American Chemical Society, 147(31), 28056-28072. https://doi.org/10.1021/jacs.5c07977
• The essential synergy of MD simulation and NMR in understanding amorphous drug forms
  
  Guest, J. L., Bourne, E. A., Screen, M. A., Wilson, M. R., Pham, T. N., & Hodgkinson, P. (2025). The essential synergy of MD simulation and NMR in understanding amorphous drug forms. Faraday Discussions, 255, 325-341. https://doi.org/10.1039/d4fd00097h