Computational Chemist - UOD2211 in Dundee

We are recruiting an exceptional individual to join our Computational Drug Discovery Applications Team to apply and develop computational approaches that directly drive compound design, project decision‑making, and the progression of small‑molecule drug discovery programmes. This is an open‑ended appointment, subject to continued external funding. This exciting role contributes to the development of candidate medicines that address unmet medical need. Projects underway span infectious diseases (malaria, tuberculosis), neurosciences, and women’s health.

You will be embedded within multidisciplinary drug‑discovery project teams and work closely with medicinal chemists, DMPK scientists, structural biologists, and biologists. The role focuses on applying computational chemistry, cheminformatics and data‑driven methods to generate actionable insights, propose synthetically feasible compound designs, and support progression from hit identification through to lead optimisation. Depending on experience, you may also help shape computational strategy and mentor junior colleagues.

We offer a fully integrated, industry‑style drug discovery environment within a world‑leading academic setting. You will have access to substantial HPC resources, industry‑standard software, and a diverse project portfolio addressing both global health and innovative targets. We welcome applicants from both computational and medicinal chemistry backgrounds who are motivated by impact, collaboration, and seeing their ideas translated into real compounds.

• Collaborate with interdisciplinary project teams to support compound design and project decision‑making.
• Apply computational chemistry and cheminformatics methods to analyse SAR and propose design hypotheses.
• Develop and use reproducible modelling and data analysis workflows.
• Communicate computational insights clearly to experimental colleagues.
• Contribute to a culture of scientific excellence, urgency and collaboration.

• A PhD‑level scientist (or equivalent experience) in computational chemistry, cheminformatics, or medicinal chemistry with strong computational expertise.
• Experience applying computational methods in a small‑molecule drug discovery context.
• Strong scripting skills (e.g., Python and/or KNIME) and familiarity with modelling software.
• Good understanding of medicinal chemistry concepts and how they influence design and ADME risk.
• A collaborative, proactive individual motivated to drive projects forward.

If you are applying on a part‑time basis, your application will not be considered.

For further information about this position, please contact Professor Mahmood Ahmed at mahmedo02@dundee.ac.uk.

Commitment to DORA and Equality: The School of Life Sciences has been fully committed to the principles of the San Francisco Declaration on Research Assessment (DORA) since 2013. In assessing applicants, we consider the scientific quality of their published research papers, but do not take into account where the papers were published or journal‑based metrics such as Impact Factors. Our diversity includes staff and students from BME, Disabled, LGBT communities and others, and the University of Dundee actively promotes equal opportunity. The University maintains charters such as Athena SWAN, the ECU Race Equality Charter and Stonewall.

Application Process: Posted until 24 April 2026, 23:59. External candidates can apply using the provided button. Current University of Dundee employees should apply via OneUniversity using the provided link. Navigate to ‘My Recruitment’, then ‘Available Jobs’.