Computational Chemist for AI-Driven GPCR Drug Discovery

The Computational Chemistry List; Belfast City District; On-site; GBP 40,000 - 65,000; Full time

Benefits offered by this job

Flexible working options

Pension schemes

Development opportunities

Job summary

Queen's University Belfast invites applications for a Research Fellow to lead the computational chemistry aspects of a BBSRC-funded project on GPCR signalling bias. You will collaborate with medicinal chemists at Oxford and pharmacologists at Glasgow, applying advanced computational methods to design GPR84 ligands with defined signalling profiles.

The role offers a competitive salary, flexible working options, and opportunities for development.

Qualifications

• PhD in a relevant field, to be obtained within 3 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.

Responsibilities

• Lead the computational chemistry aspects of the project, collaborating with chemists and pharmacologists.
• Apply virtual screening, machine learning, AI‑driven generative chemistry, pharmacophore modelling, and molecular dynamics simulations to design novel GPR84 ligands.

Skills

Python

Bash

GPCR knowledge

HPC environments

Machine learning

Education

PhD in computational chemistry, computational biology, structural biology, biophysics, pharmacology or related discipline

Tools

Generative chemistry platforms

Virtual screening platforms

Molecular docking software

Molecular dynamics software

Pharmacophore modelling software

Job description

Queen's University Belfast invites applications for a Research Fellow to lead the computational chemistry aspects of a BBSRC-funded project on GPCR signalling bias. You will collaborate with medicinal chemists at Oxford and pharmacologists at Glasgow, applying advanced computational methods to design GPR84 ligands with defined signalling profiles.

The role offers a competitive salary, flexible working options, and opportunities for development.