PhD Studentship: Computational Modelling of the Interactions Between Therapeutics and Metals in the Progression of Neurodegenerative Diseases

Supervisory team: Dr Shaun Mutter and Prof Jimena Gorfinkiel (The Open University)

Location: The School of Life, Health and Chemical Sciences (LHCS), The Open University, Milton Keynes.

Duration & Funding: Three years and 3 months from 1^st October 2025

Stipend: £19,237 per year (2024/25 rate, indexed annually)

Project summary: 

This project will utilise computational chemistry methodology and software to carry out simulations to explore the structure and aggregation dynamics of biomolecules associated with the progression of neurodegenerative diseases, such as Alzheimer’s disease and Parkinson’s disease. The aggregation of several different proteins, to form abnormal deposits, has been shown to be an important factor in the progression of these diseases. The complex procedures by which these biomolecules undergo aggregation are poorly understood. Yet, current research identifies the importance of metals in the mechanisms leading to progression of the diseases. This aggregation has also long been seen as an exploitable pathway for therapeutics. This project aims to elucidate the mechanisms of how therapeutics impact aggregation and if this is mediated via interaction with naturally occurring metals. This will take the form of computer simulations using molecular dynamics simulations and electronic structure calculations. A deeper understanding of the interplay between metals and aggregation inhibitors may open avenues in development of therapeutics. Either through modification of current therapeutics or by design of new therapeutics to explicitly target metals or metal binding sites.

Further information: 

This three-year research studentship is funded by the Faculty of Science, Technology, Engineering and Mathematics (STEM) at The Open University and provides a stipend of £19,237 per year (2024/25 rate, indexed annually) and all academic fees are covered.

The project is supervised by Dr Shaun Mutter and Prof Jimena Gorfinkiel. The student would be required to live in the UK and within commuting distance to The Open University in Milton Keynes.

Applicants will be expected to have a First Class or Upper Second undergraduate degree or Masters degree (or equivalent experience) in chemistry, physics, or a related area.

This project would be well-suited to candidates who:

• Have experience of working in high-performance computing (HPC) environments
• Have experience in molecular dynamics simulations and/or electronic structure calculations
• Have experience in programming/coding

Informal enquiries relating to the project should be directed to Dr Shaun Mutter (email: shaun.mutter@open.ac.uk). 

How to Apply:

Please send an email with your CV, a completed application form and a personal statement (max. 2 pages outlining your suitability for the studentship, what you hope to achieve from the PhD and your research experience to date) to STEM-LHCS-PHD@open.ac.uk via the above ‘Apply’ button.

You can find more information about this project via the following link:

Computational modelling of the interactions between therapeutics and metals in the progression of neurodegenerative diseases.

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Closing date: Monday, 10^th February 2025

Interview date: Week commencing 24th February 2025 via Microsoft Teams

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