Senior Principal Scientist / Director – Computational Chemistry (IDD)

Overview

In this senior role you lead the Computational Sciences strategy within Pharmaron’s Integrated Drug Discovery (IDD) programs, shaping design and optimization of multi-modality ligands. You guide cross-functional teams, drive AI-enabled CADD approaches, and help build scalable computational capabilities while nurturing client partnerships. Your work accelerates discovery from hit finding to IND, contributing to innovative medicines on a global stage.

Pay / Benefits

• competitive salary
• permanent contract
• remote work options in the UK
• opportunities for international collaboration
• leading-edge computational science environment
• professional development and visibility

Responsibilities

• Define and lead computational design strategy across discovery projects from hit expansion to lead optimization
• Evaluate and prioritize molecules for synthesis using a full suite of computational tools
• Provide scientific leadership to multidisciplinary project teams from hit-finding to candidate selection
• Advance modern CADD approaches (AI/ML, SBDD, cheminformatics) across small molecules and other modalities
• Build and enhance computational infrastructure, tools and capabilities
• Collaborate with global Computational Chemistry teams and cross-functional stakeholders
• Cultivate client relationships to support business growth and long-term collaboration
• Contribute to departmental strategy, capability development and business proposals
• Represent Pharmaron externally to boost reputation in Computational Sciences and drug discovery communities

Key requirements

• PhD in Computational Chemistry, Theoretical Chemistry, Molecular Modelling or related discipline
• 10+ years’ experience in computational drug discovery
• Proven track record delivering impact across drug discovery pipelines
• Expertise in CADD (SBDD, AI/ML, cheminformatics)
• Experience 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

• Excellent communication and stakeholder influencing skills
• Strategic thinker capable of translating vision into execution
• Inspirational leader and team developer
• Deep knowledge of computational chemistry in drug discovery
• Understanding of medicinal chemistry, biology and DMPK integration
• Proficiency in CADD approaches including SBDD, AI/ML, and cheminformatics

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