Senior Principal Scientist / Director – Computational Chemistry (IDD)
Location: UK - Remote
Pharmaron is looking for a Senior Principal Scientist / Director – Computational Chemistry to lead on the design and optimisation of multi-modality ligands within our Integrated Drug Discovery programmes and help shape our Computational Sciences capability.
This is a senior role requiring scientific excellence, and client engagement to drive integrated, multi-modality drug discovery programmes.
The Integrated Drug Discovery (IDD) Services group at Pharmaron is responsible for leading and delivering drug discovery projects for our client partners. The team comprises scientific expertise and strategic leadership across medicinal chemistry, CADD, biology, DMPK and translational science. Combined with Pharmaron’s global research capabilities, we design and deliver integrated programmes from target identification and hit finding, through to IND filing. Working closely with our partners, we define strategy, coordinate execution across teams and, with an AI enabled accelerated Design–Make–Test–Analyse cycle, support the progression of projects and innovative medicines towards the clinic.
The Role
1. Lead Computational Sciences design strategy across a diverse portfolio of discovery projects from hit expansion through lead optimisation. Design, evaluate, and prioritize molecules for synthesis using a complete suite of computational tools
2. Provide scientific leadership to multidisciplinary project teams from hit-finding to candidate selection
3. Drive the application of modern CADD approaches (AI/ML, SBDD, cheminformatic) across small molecule and other modalities
4. Build and enhance computational infrastructure, tools and capabilities
5. Collaborate closely with global Computational Chemistry teams and cross-functional stakeholders
6. Build and strengthen client relationships, supporting business growth and long-term collaborations
7. Contribute to departmental strategy, innovation, capability development and business proposals
8. Represent Pharmaron externally, enhancing reputation within the Computational Sciences and broader drug discovery communities
About You
9. PhD in Computational Chemistry, Theoretical Chemistry, Molecular Modelling or related discipline
10. 10+ years’ experience in computational drug discovery (Pharma, Biotech or CRO)
11. Proven track record delivering impact across drug discovery pipelines and key milestones
12. Expertise across CADD approaches, including SBDD, AI/ML and cheminformatics
13. Experience working across modalities (small molecules, peptides, biologics, emerging platforms)
14. Strong publication and/or patent record
15. Demonstrated experience leading multidisciplinary teams and external collaborations
16. Excellent communication skills
Key Skills
17. Deep knowledge of computational chemistry in drug discovery
18. Strong understanding of medicinal chemistry, biology and DMPK integration
19. Excellent communication and stakeholder influencing skills
20. Ability to manage multiple complex programmes in parallel
Key Attributes
21. Strategic thinker with the ability to translate vision into execution
22. Inspirational leader and team developer
23. Collaborative, adaptable and culturally aware
24. Results-driven with strong client focus
25. Passionate about innovation, continuous learning and scientific excellence
Why Join Pharmaron?
26. Lead cutting-edge computational science within a global CRO
27. Influence strategy, capability build and scientific direction
28. Work on diverse, high-impact discovery programmes
29. Collaborate with world-class global teams
If you're ready to take a leadership role in advancing cheminformatics and computational chemistry, we’d love to hear from you.