Computational Biologist / Bioinformatician - Chemical Biology Services

We are looking for a highly motivated Computational Biologist / Bioinformatician to join the Chemical Biology Resources team at the European Bioinformatics Institute (EMBL-EBI), located on the Wellcome Genome Campus near Cambridge, as part of the Wellcome Trust funded LIGMAP project, a multi-disciplinary collaboration between University College London and EMBL-EBI. The Chemical Biology Resources team provides world-leading chemogenomics resources to the scientific community. ChEMBL is a database of quantitative small-molecule bioactivity data curated primarily from the scientific literature widely used to support drug discovery projects in industry and academia. ChEBI is a highly curated database and ontology of compounds of biological interest.

Your role: LIGMAP is an ambitious 4.5 year project, led by University College London, to identify the endogenous ligands of the many proteins of unknown function in the proteome using AI-based methods as well as classical machine learning. You will work closely with the PDBe team at EMBL-EBI, as well as leading researchers in structural biology and machine learning at University College London, to deliver the goals of the project. You will develop descriptors to characterise the binding site of proteins in terms of their ability to recognise ligands, and use these to assess druggability of protein binding sites.

You have:

• A PhD in Bioinformatics, Structural Biology, Chemistry, Computer Science, or a related field.
• Deep understanding of protein-ligand interactions and expertise in protein structure analysis, specifically in characterizing binding sites and assessing druggability.
• Strong foundation in cheminformatics, including analysis of molecular representations, chemical similarity, fingerprints design, and clustering techniques, among others.
• Experience with molecular docking, virtual screening pipelines, and the calculation of chemical properties to support functional annotation.
• Proficiency in Python, with hands-on experience using cheminformatics and structural biology libraries such as RDKit, Biopython, or Open Babel.
• Familiarity with structural data formats (mmCIF, PDB) and experience working with global resources like the Protein Data Bank (PDBe).
• Experience working with relational (SQL) databases and managing large-scale biological or chemical datasets.
• Familiarity working in a structured collaborative software development environment using git and GitHub/GitLab.
• Proficiency in working with Linux operating systems.
• Self-motivated with a can-do attitude and a willingness to solve complex problems in a multi-disciplinary team.
• Excellent communication and interpersonal skills, with the ambition to work effectively with international collaborators across institutions like EMBL-EBI and UCL.
• Advanced English language skills.

You might have:

• Experience using PyMOL or other 3D molecular visualization tools (ChimeraX, VMD) for the detailed analysis of protein surfaces and binding pockets.
• Experience in scripting within visualization software to automate the generation of structural descriptors.
• Experience in using AI-based methods, such as Geometric Deep Learning, Graph Neural Networks, or LLMs for structural data processing.

Salary: Grade 5 or 6 depending on experience. Salary from £3,303.40 or £3,695.61 after tax plus generous benefits. Excluding personal pension and insurance contributions. Contract length: 3 years grant limited. With the possibility to extend for a further year.

Why join us: Do something meaningful. At EMBL-EBI you can apply your talent and passion to accelerate science and tackle some of humankind's greatest challenges. EMBL-EBI, part of the European Molecular Biology Laboratory, is a worldwide leader in the storage, analysis and dissemination of large biological datasets. We provide the global research community with access to publicly available databases and tools which are crucial for the advancement of healthcare, food security, and biodiversity.

Join a culture of innovation. We are located on the Wellcome Genome Campus, alongside other prominent research and biotech organisations, and surrounded by beautiful Cambridgeshire countryside. This is a highly collaborative and inclusive community where our employees enjoy a relaxed atmosphere. We are committed to ensuring our employees feel valued, supported and empowered to reach their professional potential.

Enjoy lots of benefits:

• Financial incentives: Monthly family, child and non-resident allowances, annual salary review, pension scheme, death benefit, long-term care, accident-at-work and unemployment insurances.
• Flexible working arrangements - including hybrid working patterns.
• Private medical insurance for you and your immediate family (including all prescriptions and generous dental & optical cover).
• Generous time off: 30 days annual leave per year, in addition public holidays.
• Relocation package including installation grant (if required).
• Campus life: Free shuttle bus to and from work, on-site library, subsidised on-site gym and cafeteria, casual dress code, extensive sports and social club activities (on campus and remotely).
• Family benefits: On-site nursery, 10 days of child sick leave, generous parental leave, holiday clubs on campus and monthly family and child allowances.
• Benefits for non-UK residents: Visa exemption, education grant for private schooling, financial support to travel back to your home country every second year and a monthly non-resident allowance.

For detailed information please visit our employee benefits page here.

What else you need to know: International applicants: We recruit internationally and successful candidates are offered visa exemptions. Please take a look at our International Applicants page for further information. EMBL is a signatory of DORA. Find out how we apply DORA principles to our recruitment and performance assessment processes here. Diversity and inclusion: At EMBL, we believe that diverse teams drive innovation and scientific excellence. We encourage applications from candidates of all genders, identities, nationalities and/or any other diverse backgrounds.

How to apply: To apply please submit a cover letter and a CV through our online system. Applications will close at 23:59 CET on the date shown below. We aim to provide a response within two weeks after the closing date.

Closing Date: 17/06/2026