Welcome to my website
My work focuses on the development and application of fast computational tools to analyse and predict protein-ligand binding. While at Oxford University, I developed and validated a particularly efficient, alignment-free molecular shape similarity method. In collaboration with colleagues at Oxford’s Pharmacology Department, I applied this tool prospectively to identify novel inhibitors of a breast cancer target. During my recent one-year postdoc at Cambridge University, I worked on non-parametric machine learning approaches to predicting protein-ligand binding affinity by exploiting structural and interaction data. These tools can be used as re-scoring functions as well as to investigate the impact of modelling assumptions on predictive performance. More recently, I have become interested in the application of evolutionary algorithms to improve in silico docking of molecules with high conformational flexibility. This reconnects with my PhD work at Imperial College London on nonlinear parameter estimation using real-coded genetic algorithms. I currently hold a four-year Methodology Research Fellowship from the UK's Medical Research Council at EMBL-EBI and a Research Fellowship at Wolfson College, Cambridge University.