Postdoctoral Research Associate in Computational Chemistry

Overview

This postdoctoral position is based at King’s College London within the Institute of Pharmaceutical Science, operating under the laboratory of Professor Miraz Rahman and funded by the BBSRC. The successful researcher will lead the computational chemistry portion of a multidisciplinary drug-discovery programme focused on finding and optimising peptide, peptidomimetic, and small-molecule inhibitors for candidalysin, a peptide toxin secreted by the fungal pathogen Candida albicans.

The appointed researcher will engage in molecular modelling, molecular docking, molecular dynamics simulations, and structure-based design. Responsibilities include running virtual screens of small-molecule libraries, investigating candidalysin behaviour in membrane environments, and collaborating closely with Professor Julian Naglik’s team and a synthetic medicinal chemist to advance design-make-test cycles. This role is offered as a full-time, fixed-term appointment spanning 35 hours per week until December 31, 2027.

Requirements

Applicants must hold a PhD in Computational Chemistry, Medicinal Chemistry, Chemical Biology, or a closely related discipline, though individuals who have recently submitted their thesis are also eligible. Essential qualifications include research experience in computational medicinal chemistry involving structure-based design and molecule optimisation, as well as proven expertise in molecular modelling, docking, molecular dynamics simulations, and protein-peptide ligand interaction analysis.

Candidates need hands-on experience designing and evaluating peptides, peptidomimetics, or small-molecule inhibitors while interpreting structure-activity relationships. Proficiency in using standard computational chemistry software platforms like the Schrödinger Suite, AutoDock Vina, or BIOVIA Discovery Studio is required. Furthermore, applicants must demonstrate an ability to combine computational forecasts with biological and biophysical data, alongside a publication record in peer-reviewed journals and strong communication, teamwork, and organisational skills.

Key dates

The closing date for applications is November 8, 2026. Interviews are scheduled to take place in November and December.