Natural products biosynthesis: a complex cascade of catalytic steps in vitamin B6 biosynthesis is characterised by structures or reaction intermediates in the large PLP syntase complexEdit
Bacterial biofilms: understanding of RedOx regulated phosphodiesterase activity in dispersal of biofilms to address chronic infections
Cancer immunology: together with Cancer Immunology at Southampton we use a structure based apporach in developing novel cancer therapie
Development of large-scale electronic structure methods, based on Density Functional Theory within the ONETEP program (onetep.org)
Development of atomistic and multiscale simulation methods for materials using quantum and classical methods, and machine-learned potentials
Application of these simulation methods to discover advanced materials in technologically relevant problems such as batteries, hydrogen fuel cells and drud optimisation