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King's College London

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Postdoctoral Research Associate in Computational Chemistry for Candidalysin Inhibitor Discovery King's College London in United Kingdom

Degree Level

Postdoc

Field of study

Computer Science

Funding

Funded by the BBSRC. Full-time fixed-term post until 31/12/2027. Salary £45,031 - £47,379 per annum inclusive of London Weighting Allowance.

Deadline

Oct 25, 2026

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Country

United Kingdom

University

King's College London

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Keywords

Computer Science
Chemistry
Biology
Computational Chemistry
Molecular Modeling
Molecular Dynamics
Medical Science
Pharmacy
Molecular Docking
Host-pathogen Interaction
Pharmaceutical Chemistry

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About this position

King’s College London is advertising a Postdoctoral Research Associate in Computational Chemistry within the Institute of Pharmaceutical Science at the Waterloo Campus in the United Kingdom. The post sits in the Drug Discovery Department and is part of a multidisciplinary collaboration between Professor Miraz Rahman and Professor Julian Naglik in the Centre for Host-Microbiome Interactions.

The project focuses on candidalysin, a peptide toxin from Candida albicans, and aims to identify and optimise peptide, peptidomimetic, and small-molecule inhibitors. The successful candidate will lead the computational chemistry component, using molecular modelling, molecular docking, molecular dynamics simulations, and structure-based design to study toxin structure, conformational behaviour, membrane-associated interactions, and inhibitor binding.

The role is strongly research-oriented and translational, with close integration of computational predictions and experimental biophysical/biological data. The researcher will help rationalise structure–activity relationships, prioritise compounds for synthesis and testing, and support an efficient design–make–test cycle with the medicinal chemistry and biology teams.

This is a full-time, fixed-term post funded by the BBSRC until 31/12/2027. Salary is £45,031–£47,379 per annum inclusive of London Weighting Allowance.

Eligibility highlights: applicants should hold a PhD in Computational Chemistry, Medicinal Chemistry, Chemical Biology, or a closely related field; recent PhD submitters awaiting award may also apply. Strong experience in computational medicinal chemistry, peptide/peptidomimetic or small-molecule design, and relevant software tools such as Schrödinger Suite, AutoDock Vina, or BIOVIA Discovery Studio is expected. A publication record and strong teamwork/communication skills are also required.

The closing date is 2026-10-25. Applications should be submitted via the King’s College London recruitment portal with a CV and supporting statement. The advert notes that applications may close early if a strong field is received.

Funding details

Funded by the BBSRC. Full-time fixed-term post until 31/12/2027. Salary £45,031 - £47,379 per annum inclusive of London Weighting Allowance.

What's required

PhD in Computational Chemistry, Medicinal Chemistry, Chemical Biology or a closely related discipline; candidates who have recently submitted their PhD thesis and are awaiting award are eligible. Required experience includes computational medicinal chemistry, structure-based design, molecular modelling, molecular docking, molecular dynamics simulations, analysis of protein/peptide-ligand interactions, and computational design/evaluation of peptides, peptidomimetics and/or small-molecule inhibitors. Applicants should be proficient with software such as Schrödinger Suite, AutoDock Vina, BIOVIA Discovery Studio or equivalent, and be able to integrate computational predictions with biophysical, biochemical and biological data. A strong publication record and excellent organisational, analytical, communication and teamwork skills are expected. Desirable experience includes advanced MD, membrane simulations, binding-energy calculations, workflow development, scripting, cheminformatics, bioinformatics, multidisciplinary collaboration, and supervising or mentoring students.

How to apply

Submit your application through the King’s College London online recruitment portal. Include a CV and a supporting statement showing how you meet the essential criteria, and provide evidence against desirable criteria where possible. Apply as early as possible because the advert may close early if enough applications are received.

More information can be found here

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