Computational Postdoctoral Research Associate

The University of Oxford is seeking a computational chemist or biophysicist to join the Modernising Medical Microbiology Unit within NDM Experimental Medicine. The appointed researcher will spearhead molecular simulation efforts, including free energy calculations, for the Gram-Negative Antibiotic Discovery Innovator (Gr-ADI) project. The work focuses on identifying target-lead complexes and evaluating how genetic mutations impact ligand binding in Klebsiella pneumoniae to help mitigate antimicrobial resistance. The successful candidate will collaborate with an interdisciplinary team, manage project timelines, produce scientific publications, and mentor junior researchers.

• Collaborate with the interdisciplinary team to identify suitable target/ligand complexes for study.
• Set up, execute, and analyze classical molecular dynamics and alchemical free energy simulations.
• Evaluate how specific genetic mutations reduce ligand binding to anticipate potential antimicrobial resistance mechanisms.
• Regularly update the project team on computational findings to guide lead compound optimization.
• Manage time effectively to meet project milestones and deliverables.
• Lead the preparation and writing of scientific abstracts, reports, and peer-reviewed manuscripts.
• Attend and present findings at relevant scientific meetings and conferences.
• Provide advice, training, and support to less experienced group members such as DPhil students.