Postdoc: Molecular Simulations for Antibiotic Discovery

University of Oxford; Oxford; On-site; GBP 39,000 - 48,000; Full time

Job summary

University of Oxford invites applications for a postdoctoral Computational Chemist/Biophysicist to lead molecular simulation work, including free energy calculations, for the Gr-ADI project.

You will work in the MMM Unit at the John Radcliffe Hospital, Oxford, applying MD and alchemical methods to identify how mutations affect ligand binding and guide lead optimisation. Full-time, fixed-term for 24 months, funding to 28 Feb 2029.

Qualifications

• PhD in computational chemistry or biophysics.
• Experience setting up, running and analysing molecular dynamics simulations.
• Ideally with alchemical free energy simulations on protein/ligand complexes.
• Familiarity with Linux/Unix and Python3.
• Interest in antimicrobial resistance and drug development is advantageous.

Responsibilities

• Lead on molecular simulation work for the Gr-ADI project.
• Prepare, run and analyse required molecular simulations and update the project team.
• Identify suitable target/ligand complexes and potentially update them based on results.
• Mentor junior group members (e.g. DPhil students) and provide support to others.
• Present abstracts and manuscripts; participate in scientific meetings as needed.

Skills

Molecular dynamics simulations

Free energy calculations

Python programming

Linux/Unix

High-performance computing

Education

PhD in computational chemistry or biophysics

Job description

University of Oxford invites applications for a postdoctoral Computational Chemist/Biophysicist to lead molecular simulation work, including free energy calculations, for the Gr-ADI project.

You will work in the MMM Unit at the John Radcliffe Hospital, Oxford, applying MD and alchemical methods to identify how mutations affect ligand binding and guide lead optimisation. Full-time, fixed-term for 24 months, funding to 28 Feb 2029.