Mid/Senior Computational Drug Discovery Scientist Borehamwood

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.​

Borehamwood

Borehamwood is a town in Hertfordshire in the East of England region located approximately 12 miles north east of central London, 7 miles from Watford, 8 from St Albans and 20 from Luton.

Borehamwood’s strategic location with direct access to the M25, M1 and A1M motorways, frequent 18 minutes train service to Charing Cross and excellent connections to Heathrow, Gatwick, Luton and Stansted Airports make it a prime commuter location.  There is, however,

a  wide  range  of  businesses  in Borehamwood with  the creative  industries  and  niche  pharmaceutical companies being particularly well represented.    The world famous Elstree Studios are also located in Borehamwood; popular TV shows that are filmed at Elstree include Holby City, Who Wants to be a Millionaire and East Enders.

Famous people from Borehamwood:  Simon Cowell, reality TV judge and Marilyn, 1980’s “New Romantic” pop singer