Computational Postdoctoral Research Associate

We are seeking

a creative, collaborative and enthusiastic computational chemist or biophysicist to lead on the molecular simulation work, including free energy calculations, to support our Gram-Negative Antibiotic Discovery Innovator (Gr-ADI) project.This is an exciting opportunity for a postdoctoral researcher to join an interdisciplinary research team who are working together to discover novel small molecules able to inhibit key protein targets in Klebsiella pneumoniae with the aim that these could be used as antimicrobials to treat infections. The key scientific objective for the postholder will be help mitigate the emergence of antimicrobial resistance by using free energy simulations to identify, for each target/lead pair, which genetic mutations reduce the binding of the ligand, and thereby could lead to resistance. By being part of the core team your results will help guide subsequent optimisation of the lead compounds. The main responsibilities will include working with the wider team to identify suitable target/ligand complexes, preparing, running and analysing the required molecular simulations, updating the project team with your results, which may in turn lead to updated target/ligand complexes. You will need to manage your time, lead on the production of scientific abstracts and manuscripts and attend, where necessary, scientific meetings and conferences. As an experienced researcher you will be expected to provide advice and support for other group members who may be less experienced (e.g. DPhil students) or are trained in a different discipline. About you You will hold a PhD in a relevant scientific subject such as computational chemistry or biophysics and have experience setting up, running and analysing classical molecular dynamics simulations and ideally also have carried out alchemical free energy simulations on protein/ligand complexes. You will have familiarity with Linux/Unix command-line environments and high-level programming languages, preferably Python3. Familiarity with high-performance computing and/or cloud computing and an interest in antimicrobial resistance and drug development would be advantageous but not required. Benefits of working In return we offer an excellent benefits package including: • 38 days annual leave (pro rata for part time) • Hybrid working • An excellent contributory pension scheme • Childcare services • Family leave schemes • Cycle and electric car loan schemes • Employee Assistance Programme • Membership to social and sports clubs • Discounted bus travel and travel loans • Weekly coffee and cake mornings, and social events throughout the year Application Process This role is based in Oxford and offered on a full-time basis. It is a fixed-term post with funding available for 24 months and the project is funded until 28 Feb 2029.