Oliver Hills

Senior Scientist - Computational Chemistry @Nxera Pharma

Cambridgeshire, GB

Driving GPCR-focused small molecule discovery through the application of advanced CADD methods, integrating structure- and ligand-based design to accelerate hit identification and optimisation in close collaboration with medicinal chemistry and protein science teams- Developing and refining binding mode hypotheses using homology modelling, molecular dynamics (MD) and induced-fit docking (IFD-MD) to inform structure-based design- Applying cryo-EM structure refinement to enable high-quality SBDD modelling and accurate binding mode interpretation- Leading in-silico hit identification campaigns using both ligand-based and structure-based virtual screening (LBVS/SBVS), delivering novel hit matter for progression- Driving compound ideation through virtual library enumeration and active-learning generative AI approaches to explore and prioritise new chemical space- Analysing SAR trends to generate mechanistic insights and identify opportunities for new compound design hypotheses- Evaluating proposed designs from medicinal chemistry against current pharmacophore and structural models, guiding synthesis priorities and design refinement- Automating and optimising CADD workflows in Python, improving efficiency, reproducibility and scalability across discovery programmes

University of Leeds

Doctor of Philosophy - PhD, Computational Chemistry

Cardiff University / Prifysgol Caerdydd

MChem, Chemistry