VRS Recruitment
Head of Computer-Aided Drug Discovery (CADD)
How your CV stacks up
Upload your CV to see how well it fits this job role
?%
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.
Reasons to use Rodeo
Start with a chat, not a search bar
Grad scheme, placement, apprenticeship? Not sure what you want yet — that's fine. Your agent talks it through with you and turns "I have no idea" into a shortlist.
It searches the market for you
Every day your agent scans the market matching roles against what actually matters to you, not just keywords on a CV.
Only hits
No noise. No "maybe this fits." Just roles with a clear explanation of why they're right — and where to focus when applying.
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.
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!
Get help with your application
Your very own career expert that helps elevate your application to the next level.
Keywords: Head of CADD, Head of Computational Chemistry, Head of Computational Drug Discovery, CADD Lead, Computational Chemistry Lead, Senior Computational Chemist, Principal Computational Scientist, CADD, Computational Chemistry, CADD, SBDD, Fragment-Based Drug Discovery, Virtual Screening, Molecular Docking, Molecular Dynamics, FEP, AI/ML, Cheminformatics, Drug Discovery, Hit ID, Hit-to-Lead, Lead Optimisation, Cambridge, Granta Park, Great Abington, South Cambridge, South Cambridgeshire, Duxford, Royston, Sawston, Saffron Walden, Haverhill, Hertfordshire, Essex, VRS9508MP.
Follow VRS Recruitment on LinkedIn to view all our latest vacancies!
Please note that by submitting your application to VRS Ltd your details will be registered with us so that we can contact you about suitable job opportunities now and in future. You may unsubscribe at any time by emailing us directly via our website.
“It took my CV and asked me questions relevant to understanding what kind of jobs to suggest for me. Suggestions were almost perfect. Jobs were exactly what I’ve been looking for.”
Jessica, London
Skills