About this role
Salary: £100,000 - 100,000 per year
Requirements: PhD (or equivalent) in computational chemistry, computer-aided drug discovery, cheminformatics or a related disciplineSignificant, demonstrable experience of computational drug discovery in a biotech or pharma environment, including experience leading or directing computational workDeep, hands-on expertise in molecular docking, virtual screening, molecular dynamics and quantum mechanical calculationsPractical experience applying machine learning and modern AI approaches to real drug discovery problems, with a clear understanding of their strengths and limitationsA demonstrable track record of using computational methods to help drug discovery project teams succeed, with tangible contributions to lead optimisation and candidate nominationStrong experience using experimental structural information and biophysical data to drive structure-based molecular designProven ability to lead and develop scientists, set direction and manage the priorities and delivery of a technical groupExcellent communication and interpersonal skills, with the ability to explain complex computational science to multidisciplinary teams and external partners Responsibilities: Lead, direct and develop our computational chemistry and data science group, setting scientific strategy and best practice standardsAct as the computational lead embedded within multidisciplinary project teams, generating and prioritising design ideas, resolving SAR and accelerating lead optimisationExploit structure-enabled and fragment-based methodology, integrating experimental structural and biophysical data with modelling and designChampion the appropriate use of machine learning, generative design and AI in drug discovery, including collaborative AI-driven drug discovery initiativesOversee cheminformatics and data science workflows that support robust, data-driven decision making at every stage of a projectLead the analysis and exploitation of large-scale screening and structural datasets to turn them into actionable insight for hit identification and designDirect the selection, development and deployment of computational tools and workflows, both commercial and in-houseLine manage, mentor and grow our team, recruiting as it expandsRepresent computational science to partners and collaborators, building confidence in the science behind deliveryKeep abreast of scientific and technological advances and drive adoption of new methods where they genuinely strengthen discovery outcomes Technologies: AIEmbeddedSupportMachine LearningBig DataPython More:
We are a well-established, science-led drug discovery company with a strong track record of delivering pre-clinical candidates for partners on challenging targets. We combine deep in-house structural and biophysical expertise with modern computational chemistry, cheminformatics, machine learning and AI, including structure-enabled and fragment-based approaches to hit and lead generation. We are offering a senior scientific leadership role with genuine influence, reporting to a senior chemistry leader and working in a hybrid arrangement based in Cambridge. The role is hands-on, collaborative and embedded across multidisciplinary teams, with the opportunity to shape how computational methods are applied across our discovery portfolio while leading and growing a small team.
last updated 34 week of 2026