Research Fellow – Computational Chemistry (Pharmacy)

About the role

We are seeking a Research Fellow to lead the computational chemistry component of a BBSRC‑funded collaborative project on GPCR signalling bias. The role involves close collaboration with medicinal chemists at the University of Oxford and pharmacologists at the University of Glasgow.

Key responsibilities

• Design and execute virtual screening campaigns and molecular docking studies.
• Apply machine‑learning and AI‑driven generative chemistry approaches to propose novel GPR84 ligands.
• Develop pharmacophore models and run molecular dynamics simulations to assess ligand behaviour.
• Maintain and optimise scripts for high‑performance computing environments.
• Contribute to project reports, publications and interdisciplinary meetings.

Required profile

• PhD (or to be awarded within 3 months of start) in computational chemistry, computational biology, structural biology, biophysics, pharmacology or a related discipline.
• Proven experience in virtual screening, molecular docking and molecular dynamics.
• Hands‑on experience with machine‑learning/AI methods and generative chemistry platforms.
• Familiarity with pharmacophore modelling and GPCR structure/function.
• Strong scripting abilities in Python and Bash, and experience using HPC resources.

Required skills

• Python
• Bash
• Virtual screening
• Molecular docking
• Machine learning
• AI‑driven generative chemistry
• Pharmacophore modelling
• Molecular dynamics simulations
• High‑performance computing environments
• GPCR knowledge

What we offer

• Competitive salary and benefits package.
• Up to 8.4 weeks of annual leave.
• Pension scheme and professional development opportunities.
• Flexible working arrangements and wellbeing support.