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Principal Computational Chemist - drug discovery

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1 year ago
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UNPAID VOLUNTEER - Principal Technology Officer (PTO) - Quantum Computing

Senior Quantum Technology Recruitment Consultant

Hub Manager for the UK Hub for Quantum Enhanced Position, Navigation and Timing

Your newpany
You'll be joining a VC backed biotech that has already raised tens of millions of pounds of funding and is using its novel platform technology to develop innovative medicines for areas of unmet need, allowing you to have a significant impact on patients.Thepany has a high-performing and innovative atmosphere, driven by the highly experienced leadership team which has an excellent track record of developing therapeutics.They are going into their next phase of growth and are looking to further build up their R&D teams within chemistry and biology with the addition of an experiencedputational chemist to focus on leading early drug discovery projects.This is a full-time position, with hybrid working based out of their site in London.

Your new role
This is a permanent position, sitting in the Discovery Chemistry team, and working closely with a variety of internal colleagues and external stakeholders and vendors.The role is hybrid, requiring some time on site, and is focused on leading thepany’sputational chemistry efforts as they develop the next generation of small molecule therapeutics.Major responsibilities will include a mix of (but aren’t limited to):

Acting as a technical lead on drug discovery projects Driving early discovery work from Hit ID through to Lead Optimisation and beyond Manage virtual screening projects, eg assessing structure or ligand binding to identify novel hits and assist with progressing programmes through thepany’s portfolio Support experimental design with colleagues in other departments Develop and then implementputational chemistry strategies Assess, optimise and add new software into thepany’s discovery platform Customising / developing new workflows, tools or pipelines Identify requirements from internal stakeholders and help to develop new approaches Presenting results to senior leadership and other stakeholders, eg within medicinal chemistry or biology teams



What you'll need to succeed
As well as strongmunication skills for dealing with internal collaborators and stakeholders, you should have:An MSc / PhD (or equivalent experience) inputational chemistry or a life sciences discipline such as chemistry, biochemistry, bioinformatics, or similar with a strongputational elementA track record of drug discovery within a pharmaceutical, biotech or contract research/CROpany or similar, preferably as a project leaderDeep hands-on expertise of applying both structure-based and ligand-based drug design approaches to discovery projectsExperience withputational chemistry techniques
such as conformational analysis, free energy calculations, homology modelling, etcGood programming skills in a language such as Python, C++, R, Java or similarKnowledge of Cloudputing, with experience of containerisation / Docker an advantageThe ability to work with external CROs or other research partnersProject management experience, coupled with a deep seated interest in problem solvingExperience of molecular dynamics (eg NAMD, Gromacs, AMBER) or applying Quantum Chemistry or QM/MM techniques are not necessary for this role, however it would be an advantage, as would knowledge of protein degradation / PROTACS / molecular glue projects.

What you'll get in return
You'll get the chance to make a significant impact on thepany's drug discovery and development projects, taking on project leadership for a number of different aspects withinputational chemistry as they develop the next generation of medicines.Thepany are relatively open on salary bands depending on the skills of the personing in and the benefits package associated with the role is quite generous.

National AI Awards 2025

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