Computational Chemist

We are working with a leading pharmaceutical research facility that supports drug discovery programs from Target ID through to clinical candidacy. As a Senior Computational Chemist, you will develop computational simulations, models and data analysis techniques to support scientists throughout drug-discovery projects.

Key Responsibilities:

• Develop and implement computational models and simulations to help support our drug discovery projects
• Analyse datasets using statistical and machine-learning techniques
• Collaborate with experimental scientists to validate models and integrate computational insights into practical applications
• Optimise algorithms and workflows for efficiency and scalability
• Write and maintain clear, well-documented code and technical reports
• Stay up to date with the latest developments in computational science and apply innovative methods where appropriate
• Present findings to internal teams and external collaborators

The ideal candidate will have:

• PhD in Computational Chemistry – additional industrial experience supporting drug discovery programs is advantageous
• A solid understanding of the structural and physicochemical determinants of molecular recognition
• Experience working with experimental biomolecular docking, pharmacophore modelling, conformational analysis, quantum chemistry, homology modelling, molecular dynamics
• Strong background in computational modelling, numerical methods, or scientific computing & knowledge of programming languages such as Python, C++, R, MATLAB

Knowledge and experience with theMaestroand SchrodingerSuitecomponents, high-performance computing (HPC) and cloud computing environments is highly desirable.

In return, our client can offer a competitive remuneration package including excellent benefits and the chance to play key role in the development of thereaputics for various disease targets.

Key words: Senior Computational Chemist, CADD, Drug Discovery, HIT ID, Target ID, Clinical, physiochemical, molecular recognition, simulation, model, biomolecular cocking, molecular dynamics, Maestro, C++, Python, AI, Machine learning, Cambridge, London, Bedford, Oxford, Hertfordshire, VRS8989DT.

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