Mid/Senior Computational Drug Discovery Scientist Buckinghamshire

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.​

Buckinghamshire

Buckinghamshire is a county in south east England to the north of London.  Major towns in Buckinghamshire include Milton Keynes, Beaconsfield, Buckingham, High Wycombe, Aylesbury, Chesham and Amersham.  The southern part of Buckinghamshire is part of the affluent London commuter belt and enjoys the highest life expectancy and the best education results in the UK.

Places of interest in Buckinghamshire include Pinewood Film Studios, Silverstone motor racing circuit and Bletchley Park where the Alan Turing and his colleagues managed to crack the Enigma code during World War 2.

Famous people born in Buckinghamshire: Steve Redgrave, Olympic rower and Terry Pratchett, Author