Mid/Senior Computational Drug Discovery Scientist Rustington

Mid/Senior Computational Drug Discovery Scientist

Computational Drug Discovery Scientists use modelling and simulation to accelerate early-stage drug discovery. They design and optimize small molecules through computer-aided drug design (CADD) and structure-based modelling.

Core duties:

• Running molecular docking, dynamics, and pharmacophore modelling – Using software like Schrodinger, MOE, or OpenEye.

• Collaborating with medicinal chemistry and biology teams – Informing compound selection and SAR analysis.

• Designing virtual screening workflows – Prioritising libraries and filtering based on predicted properties (e.g., ADMET).

• Building QSAR and ML models – To predict compound activity and guide lead optimization.

• Contributing to publications and intellectual property – Supporting innovation across internal pipelines or collaborations.

Candidates typically have a PhD in computational chemistry, structural biology, or cheminformatics, with strong coding and visualization skills.​

Rustington

Rustington is a large village on the south coast of England close to the resort of Littlehampton in West Sussex.  Major towns with cities within easy reach of Rustington include Chichester which is 15 miles away, Brighton 20 miles and Chichester, the county town of West Sussex, is 15 miles away.   Rustington is a mixture of old and new, from the thatched cottages to modern buildings including shops, sports centres and a golf centre with an 18 hole course.

Although many Rustington residents commute to Brighton, London and elsewhere to work, a number of large companies do provide more local employment opportunities including the worldwide HQ of Body Shop in Littlehampton, Butlin’s holiday camp in Bognor Regis, Goodwood Race and the Rolls Royce factory also in Goodwood.