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.
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 20 staff split between the Daresbury and Rutherford Appleton sites.
Publications on Google Scholar