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Principal Computational Chemist

Barrington James
London
6 months ago
Applications closed

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Postdoctoral Research Assistant in Modelling of Quantum Computing Control Systems

I am supporting an incredibly well backed biotech company specializing in leveraging generative AI and quantum physics algorithms for rapid and innovative drug discovery.

They are currently looking for Senior Computational Chemists to join their team in London


Their mission is to design fast innovative drug candidates for dozens of critical diseases harshening artificial intelligence and machine learning.


This is an Opportunity for aComputational Chemist/to:


  • Utilize computational methods to design and generate small molecules targeting specific therapeutic goals, prioritizing drug-target affinity and selectivity.


  • Communicate hypotheses and work plans concisely, ensuring discussion and refinement, while prioritizing code robustness and reproducibility. Implement and evaluate generative AI algorithms, property prediction models, and molecular dynamics techniques, providing structured feedback to enhance platform performance.


  • Propose innovative strategies to enhance project progression for precision, speed, and scalability. Coordinate with Contract Research Organizations (CROs) to optimize property predictions and synthesis feasibility.


  • Collaborate closely with other members of the team, including Machine Learning engineers, software developers, computational chemists, and theoretical physicists.


  • Mentor junior team members to foster their development as drug discovery researchers.



Your Background:


  • Ph.D in Computational Chemistry, Medicinal Chemistry, Machine Learning or a related field


  • A minimum of 3+ Years industry experience working in a Drug Discovery environment.


  • Hands-on experience using state-of-the-art methods.


  • Extensive knowledge of protein structures, functions, and protein-ligand interactions.


  • Proficiency in computational chemistry packages, including RDKIT, GROMACS, MDAnalysis, etc.


  • Proficiency in small molecule ligand discovery and cheminformatics techniques.


  • Intermediate to advanced proficiency in Python.


Following your application, Jay Robins, a specialist AI recruiter will discuss the opportunity with you in detail.


He will be more than happy to answer any questions relating to the industry and the potential for your career growth.


The conversation can also progress further to discussing other opportunities, which are also available right now or will be imminently becoming available.


This position has been highly popular, and it is likely that it will close prematurely. We recommend applying as soon as possible to avoid disappointment.

National AI Awards 2025

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