Research Assistant or Associate (Quantum Mechanics based Force Fields for Computer-Aided Drug Design)- D92835R2

Newcastle University - Natural and Environmental Sciences

Salary: £27,285 to £28,936 (PhD nearing completion) or  £29,799 to £38,833 (PhD Awarded)

Applications are invited for a researcher to join an EPSRC-funded project focussed on the design and application of novel computational approaches to support anti-cancer drug discovery initiatives at Newcastle University.

Computational predictions of the strength of binding between a potential drug molecule and its target have the potential to increase the efficiency of the drug discovery process [].

At Newcastle University, our goal is to transform the accuracy of this approach by parameterising molecular mechanics force fields though state-of-the-art large-scale quantum mechanical calculations (using the ONETEP software and ]

In particular, you will be responsible for automating the force field derivation pipeline and working in close collaboration with molecular therapeutics programmes at the Northern Institute for Cancer Research to ascertain its accuracy in drug discovery applications.

You should ideally have a track record of modern software development, and of design and/or use of molecular mechanics force fields. Experience in quantum mechanics and classical molecular dynamics simulation, particularly the OpenMM software, would be advantageous.

The post is available fixed term for 12 months and is full time.

Click here for further details

Informal enquiries should be directed to Dr Daniel Cole (

Please be advised that due to a new minimum salary threshold of £30,000 per annum imposed by the UKVI, this post may not qualify for University sponsorship under Tier 2 of the points based system.

The University holds a silver Athena SWAN award in recognition of our good employment practices for the advancement of gender equality, and the University holds the HR Excellence in Research award for our work to support the career development of our researchers.  We are also a member of the Euraxess network.

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Northern England