Computational Biochemist

The role

We are seeking a Computational Chemist to support and shape early-stage discovery programmes. This is a hands‑on scientific role with genuine ownership, working directly with experimental scientists to guide molecular design and decision‑making.

You will apply computational chemistry and cheminformatics approaches to understand molecular interactions, prioritise designs, and support iterative optimisation cycles.

• Apply molecular modelling and cheminformatics methods to support discovery and optimisation projects
• Perform structure‑based and ligand‑based modelling (e.g. docking, scoring, SAR analysis)
• Analyse and interpret molecular data to guide experimental strategy
• Develop and maintain reproducible computational workflows and pipelines
• Work closely with chemists, biologists, and data scientists in a highly collaborative environment
• Contribute to project reviews, scientific discussions, and platform development

• PhD or MSc in Computational Chemistry, Chemistry, Chemical Biology, or a related field
• Strong foundation in molecular interactions, energetics, and structure–function relationships
• Hands‑on experience with tools such as RDKit, OpenMM, GROMACS, Schrödinger, MOE, or similar
• Programming experience in Python (additional scripting or data tools a plus)
• Comfortable working in a startup or small‑team environment with evolving priorities
• Able to communicate computational insights clearly to experimental scientists

• Exposure to drug discovery or molecular design programmes
• Experience integrating computational and experimental data
• Familiarity with machine learning or data‑driven modelling approaches
• Prior experience in early‑stage biotech, spin‑outs, or interdisciplinary research teams