Senior Principal Scientist / Director – Computational Chemistry (IDD)

Job Introduction

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

• 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


• Provide scientific leadership to multidisciplinary project teams from hit\-finding to candidate selection


• Drive the application of modern CADD approaches (AI/ML, SBDD, cheminformatic) across small molecule and other modalities


• Build and enhance computational infrastructure, tools and capabilities


• Collaborate closely with global Computational Chemistry teams and cross\-functional stakeholders


• Build and strengthen client relationships, supporting business growth and long\-term collaborations


• Contribute to departmental strategy, innovation, capability development and business proposals


• Represent Pharmaron externally, enhancing reputation within the Computational Sciences and broader drug discovery communities

• PhD in Computational Chemistry, Theoretical Chemistry, Molecular Modelling or related discipline


• 10\+ years’ experience in computational drug discovery (Pharma, Biotech or CRO)


• Proven track record delivering impact across drug discovery pipelines and key milestones


• Expertise across CADD approaches, including SBDD, AI/ML and cheminformatics


• Experience working across modalities (small molecules, peptides, biologics, emerging platforms)


• Strong publication and/or patent record


• Demonstrated experience leading multidisciplinary teams and external collaborations


• Excellent communication skills

• Deep knowledge of computational chemistry in drug discovery


• Strong understanding of medicinal chemistry, biology and DMPK integration


• Excellent communication and stakeholder influencing skills


• Ability to manage multiple complex programmes in parallel

• Strategic thinker with the ability to translate vision into execution


• Inspirational leader and team developer


• Collaborative, adaptable and culturally aware


• Results\-driven with strong client focus


• Passionate about innovation, continuous learning and scientific excellence

• Lead cutting\-edge computational science within a global CRO


• Influence strategy, capability build and scientific direction


• Work on diverse, high\-impact discovery programmes


• Collaborate with world\-class global teams

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