Overview
We are seeking a Research Fellow to lead the computational chemistry aspects of a BBSRC‑funded collaborative project Unlocking GPCR Signalling Bias: A Multiscale Approach to GPR84 and Beyond. The role‑holder will work closely with medicinal chemists at University of Oxford and pharmacologists at University of Glasgow, applying virtual screening, machine learning, AI‑driven generative chemistry, pharmacophore modelling, and molecular dynamics simulations to design novel GPR84 ligands with predictable signalling bias profiles. Closing date: 25 May 2026.
Responsibilities
Lead the computational chemistry work for the project, including:
- Virtual screening and molecular docking
- Machine learning and AI approaches in drug discovery
- Generative chemistry platform usage
- Pharmacophore modelling
- Molecular dynamics simulations
- Collaboration with cross‑disciplinary teams
- Management of HPC environments and scripting development (Python, Bash)
Qualifications
- Hold or be about to obtain a PhD in computational chemistry, computational biology, structural biology, biophysics, pharmacology, or a related discipline (to be obtained within three months of start date)
- Significant experience in virtual screening and molecular docking
- Experience with machine learning/AI approaches in drug discovery
- Familiarity with generative chemistry platforms
- Experience with pharmacophore modelling
- Experience with molecular dynamics simulations
- Strong scripting skills (Python, Bash)
- Experience with HPC environments
- Knowledge of GPCR structure, function, and signalling pathways
Benefits
Beyond a competitive salary, the University offers an attractive benefits package including up to 8.4 weeks of holiday entitlement per year, pension schemes, and development opportunities. Flexible working options and well‑being support for physical and mental health are also provided.
Equality and Diversity
Queens University is committed to promoting equality of opportunity to all. We subscribe to Equality Charter Marks such as the Diversity Charter Mark NI and Athena Swan and have established staff networks such as iRise and PRISM to support inclusion. Please visit our diversity page for more information.
26.05.19 Research Fellow - School of Pharmacy employer: Computational Chemistry List, Ltd. (CCL)
Queen's University Belfast is an exceptional employer, offering a dynamic and collaborative work culture that fosters innovation in the field of computational chemistry. With a strong emphasis on cross-disciplinary collaboration and flexible working arrangements, employees are encouraged to grow their skills through meaningful projects and partnerships with leading institutions. The university provides ample opportunities for professional development, making it an ideal place for those seeking a rewarding career in research.
Contact Details:
Computational Chemistry List, Ltd. (CCL) Recruitment Team
