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Principal Scientist - Computational Chemistry, Bracknell
Client:
Location:
Job Category: Other
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EU work permit required:
Yes
Job Reference:
599dccc87c87
Job Views:
5
Posted:
29.06.2025
Expiry Date:
13.08.2025
Job Description:
We are looking for a highly motivated computational chemist to join the Computational Chemistry group at our R&D site in Jealott’s Hill, UK. With strong expertise in computational structure-based chemical design and protein modelling, you will drive innovation in our molecular design processes. As part of your professional development, you will have the opportunity to explore and integrate AI/ML methodologies with traditional computational chemistry approaches to accelerate and improve molecular design. Strong teamwork, excellence in computational design, and the ability to work effectively as part of multidisciplinary project teams are essential.
Accountabilities:
* Design and optimize molecules for synthesis, guided by computational modelling of protein-ligand interactions, in partnership with chemists, biologists, and other scientific experts
* Develop and implement computational workflows to support molecular design
* Create structure-property relationships to guide design decisions
* Explore emerging computational methods
* Provide systematic feedback to drive continuous improvement of computational chemistry infrastructures, workflows and algorithm implementation
Qualifications
Required knowledge and experience:
* PhD in computational chemistry or related field
* PhD or postdoctoral position focussed on protein modelling
* Demonstrated experience in structure-based design
* Demonstrated experience with molecular dynamics simulation
* Proficiency with standard computational chemistry/cheminformatics packages
* Demonstrated experience with High-Performance Computing (HPC) and distributed computing environments
* Demonstrated ability to work effectively in cross-functional teams
Additional Expertise:
* Working knowledge of Python programming
* Basic understanding of statistics and data analysis
* Machine learning concepts and their applications in chemistry
Additional Information
What we offer:
* Access to state-of-the-art research facilities and technologies, enabling you to apply and expand your expertise in computational design and active ingredient optimization.
* A dynamic and stimulating working environment with an open culture and diverse workforce, fostering new ideas and work-life balance.
* Investment in your professional growth through multidisciplinary training, including AI/ML applications, statistics, and software development.
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