​​​I am the Group Leader for the Computational Biology Group, which has interests in a wide range of research and software development, mostly in computational molecular biology. We perform structural modelling of macromolecules and their environment, unbiased molecular dynamics simulations, enhanced sampling schemes, and free energy estimations. The group also coordinates the national CCP4 and CCP-EM projects in macromolecular crystallography and electron cryo-microscopy, and is involved in numerous bioinformatics and data analytical projects for ‘omics data. We also provide core support to the CCPi and CCPSyneRBI collaborations in tomography.

My background was in theoretical chemistry and condensed matter physics, before I joined the CCP4 project in 1995. I became group leader in 2007, and now have about 25 staff split between the Daresbury and Rutherford Appleton sites. I have received funding from MRC, BBSRC, EPSRC, STFC, EU and the Wellcome Trust.

Publications on Google Scholar