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Funded positions
CoreShell Molecular Descriptor PDRA
Applications close 25 November 2026. Join the ARIA-funded CoreShell Fibre Foundry programme and turn molecular simulations into practical protein-design rules. This full-time research role will translate coarse-grained molecular-dynamics trajectories into quantitative descriptors of engineered protein assemblies.
- Salary
- £39,906–£46,049
- Location
- Glasgow
- Hours
- 1.0 FTE, full time
- Contract
- Fixed term, 12 months
The postholder will build high-throughput Python workflows to measure assembly geometry and behaviour, including curvature, lumen dimensions, scaffold and tube stability, packing, aggregation, interfacial organisation and persistence. The work will connect protein sequence features to assembly behaviour, prepare reliable datasets for predictive and active-learning models, and compare simulation with microscopy, scattering and other experimental data.
Essential: a PhD in computational chemistry, molecular simulation, physics, biophysics, materials modelling, computational biology, mathematics or a related field; strong Python skills; experience developing quantitative descriptors from molecular or structural data; and experience with large trajectory datasets.
Desirable: coarse-grained molecular dynamics (especially Martini or a related force field), GROMACS, VMD, MDAnalysis, OVITO, high-performance computing, structural-order analysis, or preparing datasets for machine-learning models.
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