Tel: 01904 32 8252 Office: B/K/065 (Biology, Campus West)
I work with Kevin Cowtan, Gideon Davies and Keith Wilson on the development of new methods for carbohydrate structure detection, refinement and validation. Using a YSBL-designed fingerprinting engine, we can create syntheses of different sugars and their environment, and then use that information for detecting features in a crystallographic or cryoEM map. This is precisely what the Sails software does. After they are built, structures can be refined and validated with the aid of Privateer, the first sugar-specific validation software to check ring conformation, stereochemistry, linkage torsions, nomenclature and fit to unbiased electron density maps. Additionally, Privateer produces vector diagrams (SVG) for glycans - these are compliant with the 'Essentials of Glycobiology 3rd edition' nomenclature. Privateer can be obtained through CCP4.
Together with Stuart McNicholas, and with key input from Gideon Davies (and his group) and Keith Wilson, we have developed Glycoblocks, which is a schematic 3D representation for glycans and their interactions. This representation is available within CCP4mg, the CCP4 molecular graphics program. As both are part of the CCP4 suite, CCP4mg can use the interactive 2D glycan diagrams - compliant with the 'Essentials of Glycobiology 3rd edition' nomenclature - and validation information generated by Privateer.
I work with Kevin Cowtan on the development of new methods to aid in macromolecular structure solution from X-ray Crystallography and cryoEM data. We are currently engaged in developing methods for model-free refinement, fast B-factor refinement and estimation of local map resolution, for both X-ray crystallography and cryoEM. I also share interests and projects with a number of YSBL crewmates, including Eleanor Dodson (development of pipelines and tasks for CCP4i2), Stuart McNicholas (Clipper-python module), and Huw Jenkins and Christian Roth (ab-initio structure solution).
Want to catch up with me? Here is a list of times and places where we can meet and discuss
A new methodological foundation for carbohydrate model building, validation and representation (self-funded project) - open to all applicants who are able to fund their own studies. More information here.
My group's activities are supported by: