Research Interests

Our research is focused on the development of computational methods that combine experimental data with bioinformatics and modelling techniques to characterise the structure of macromolecular machines. Structural models are further analysed to understand their function and design new experiments. The group is particularly interested in applying these methods using data from cryo electron microscopy and mass spectrometry. In collaboration with experimentalists, specific systems we currently work on include herpesvirus sub-complexes, bacterial secretion systems, ligand-gated ion channels, and microtubule complexes. 

Selected recent publications

1. •Zeev-Ben-Mordehai T, et al. “Two distinct trimeric conformations of natively membrane-anchored full-length Herpes simplex virus 1 glycoprotein B”. Proc Natl Acad Sci USA. 113:4176-4181, 2016.
   

2. •Ashford P, et al. “HVint: A strategy for identifying novel protein-protein interactions in herpes simplex virus type 1”.          Mol Cell Proteomics. 15:2939-2953, 2016.
   

3. •Bullock JMA, et al. “The importance of non-accessible crosslinks and solvent accessible surface distance in modelling proteins with restraints from crosslinking mass spectrometry.” Mol Cell Proteomics, 2016, 15:10.1074.
   

4. •Joseph AP, et al. “Refinement of atomic models in high resolution EM reconstructions using Flex-EM and local assessment.” Methods 100:42, 2016. 
   

5. •Pandurangan AP, et al. “γ-TEMPy: simultaneous fitting of components in 3D-EM maps of their assembly using a genetic algorithm”. Structure, 23:2365, 2015.
   

6. •Lukoyanova N, et al. “Conformational changes during pore formation by the perforin-related protein pleurotolysin”.      PLoS Biol. 13(2): e1002049, 2015.