Postdoctoral position in AI for Molecular Modelling

Instruct-ERIC; Greater London; On-site; GBP 35,000 - 48,000; Full time

Job summary

Brunel University of London’s Department of Computer Science is offering a postdoctoral position in AI for molecular modelling. The Research Fellow will deliver the computational component of the project through protein structure modelling, molecular docking and analysis of protein–ligand interactions.

Preference will be given to candidates with knowledge of protein modelling, docking, machine learning for computational biology, and Python software development.

Qualifications

• Deliver computational component via protein structure modelling, docking, and analysis of protein–ligand interactions.
• Integrate results with experimental receptor data to develop AI methods for predicting binding and species sensitivity.

Responsibilities

• Deliver computational component via protein structure modelling, docking, and analysis of protein–ligand interactions.
• Integrate results with experimental receptor data to develop AI methods for predicting binding and species sensitivity.

Skills

Protein molecular modelling

Protein–ligand docking

Machine learning

Python programming

Job description

Jobs in Structural Biology and Related Fields

Postdoctoral position in AI for Molecular Modelling

Department of Computer Science - Brunel University of London

Contract Type: Fixed-term until 30/11/2028

The Research Fellow will deliver the computational component of the project through protein structure modelling, molecular docking and detailed analysis of protein-ligand interactions. They will integrate these results with receptor-interaction data generated by the experimental collaborators at the University of Southampton to develop and evaluate artificial intelligence (AI) methods for predicting chemical binding and species sensitivity.

Preference will be given to candidates with knowledge and experience of protein molecular modelling, protein–ligand docking, machine learning methods for computational biology, and software development in Python.

Closing date for applications: 21st September 2026

Interviews will take place during the week of 12th October 2026 online.