Computational Postdoctoral Research Associate

Overview

The University of Oxford is offering a full-time, fixed-term computational postdoctoral research associate position within the NDM Experimental Medicine department. The successful candidate will lead molecular simulation work, including free energy calculations, to support the Gram-Negative Antibiotic Discovery Innovator project. The primary objective is to use free energy simulations to identify genetic mutations that reduce ligand binding and lead to resistance, helping to discover novel small molecules to inhibit key protein targets in Klebsiella pneumoniae.

The position is based at the Modernising Medical Microbiology Unit located at the John Radcliffe Hospital in Oxford. Funding for this post is available for 24 months, with the project funded until February 28, 2029.

Who can apply

Applicants must hold a PhD in a relevant scientific subject, such as computational chemistry or biophysics. Candidates should have experience setting up, running, and analyzing classical molecular dynamics simulations, with ideal experience carrying out alchemical free energy simulations on protein and ligand complexes. Familiarity with Linux or Unix command-line environments and high-level programming languages, preferably Python3, is required. Advantageous qualifications include familiarity with high-performance computing or cloud computing and an interest in antimicrobial resistance and drug development.

What you get

The salary for this position ranges from £39,424 to £47,779 per annum. The role involves working within an interdisciplinary research team spanning clinical and laboratory microbiology, public health, genomics, statistics, machine learning, bioinformatics, and software engineering.

Requirements

Responsibilities include collaborating with the wider team to identify suitable target and ligand complexes, preparing, running, and analyzing molecular simulations, and updating the project team with results. The role requires managing time, leading the production of scientific abstracts and manuscripts, attending scientific meetings and conferences, and providing advice and support for less experienced group members or those trained in different disciplines.

How to apply

Applicants must submit an online application that includes a CV and a supporting evidence form. A covering letter is not required, and CVs submitted alone will not be considered. The supporting evidence form must explain how the applicant meets each of the essential and desirable selection criteria using specific examples of skills and experience. Inquiries can be sent to the designated contact email.

Key dates

The closing date for applications is noon on Wednesday, November 18, 2026. Interviews will be held as soon as possible following the application deadline.