Computational Chemist

C4X Discovery is currently looking to extend its drug discovery team with experienced, highly motivated Computational Chemist. This role is office-based and can be undertaken from either our Manchester or London locations.

Working as part of a team of scientists, this role combines the knowledge and expertise of a traditional Computational Chemist with C4X’s conformational insights from its NMR technology to design novel small molecules with the view to optimise them to drug candidates.

This role offers the opportunity to shape the use of cutting-edge drug discovery approaches, focussed on driving quality in drug discovery.

We’re looking for enthusiastic and experienced Computational Chemists to integrate experiment based conformational analysis into drug design and to influence the use of conformational information in medicinal chemistry approaches. Contribution to efforts of integrating multiple threads of experimental data in commercial software (Schrodinger and CCDC Suites) as well as newly developed, in-house tools are a feature of this role.

The main responsibilities will include utilising experimentally determined conformational data to aid the evaluation of SAR data and hypothesis driven design, to drive structure-based design, support projects with hit finding strategies including ligand-based Virtual Screening, to expand the C4X knowledge base of conformational drivers, and to embed novel and creative working practices in computational and medicinal chemistry.

To succeed in this position, you will also require a high, proven level of self-motivation, flexibility and organisational skills. The role forms a key part in C4X Discovery’s Discovery team.

We are looking for candidates with a PhD and significant industry experience (5+ years), including experience in project support, use of computational packages, structure and ligand-based design, in silico conformational analysis techniques (such as QM, MD), and ChemInformatics/Data analysis.

Experience with scripting (in Python, for example), Machine Learning, use of RDKit and collaboration with third parties including CROs would be an advantage.

C4X Discovery offers a broad selection of health benefits, share options, a generous pension scheme and an annual, discretionary bonus scheme.

Please send a CV & cover letter to This email address is being protected from spambots. You need JavaScript enabled to view it.