Head of Computer-Aided Drug Discovery

We are seeking an experienced computational drug discovery leader to head a specialist CADD team within an established drug discovery organisation.

This is a hands-on scientific leadership role, combining team leadership with direct involvement in multidisciplinary discovery programmes, from hit identification through lead optimisation and candidate nomination.

The Role

Manage and lead a growing team of computational chemists and data scientists. Responsible for directing computational strategy across structure- and fragment-based drug discovery programmes. Apply and guide the use of docking, virtual screening, MD, QM and advanced computational methods. Champion AI/ML, generative design and cheminformatics approaches that add value to drug discovery. Work closely with cross-functional teams such as medicinal chemistry, structural biology, biophysics and biology teams. Oversee computational workflows and analyse large-scale datasets, including DEL screening data. Represent computational science with external partners and collaborators.

About You

You will have:

A PhD (or equivalent) in computational chemistry, CADD, cheminformatics or a related discipline. Significant pharma/biotech drug discovery experience. Strong hands-on expertise in CADD and structure-based drug design. Practical experience applying AI/ML to drug discovery. Proven experience leading and developing a team of computational scientists. Strong communication skills and the ability to influence multidisciplinary project teams.

Experience with fragment-based drug discovery, FEP, DEL data, cheminformatics and Python/software development would be highly advantageous.

Computer-Aided Drug Discovery, CADD, Computational Chemistry, Computational Drug Discovery, Computer-Aided Drug Design, Structure-Based Drug Design, Molecular Modelling, Molecular Docking, Virtual Screening, Fragment-Based Drug Discovery, Lead Optimisation, Drug Discovery, Cheminformatics, AI/ML, Machine Learning, Generative AI, Molecular Dynamics, Free Energy Perturbation, FEP, DNA-Encoded Libraries, DEL Screening, Python, Pharmaceutical Research, Biotechnology, Computational Chemistry Leadership, Drug Design, VRS9508MP.

If you're looking for an opportunity to shape computational drug discovery strategy while remaining close to and hands on with the science, please apply!