Research Leader / Senior Research Investigator (Computational Drug Design), London

The role

You will provide scientific expertise and strategic direction for portfolio drug discovery projects. You will apply AI-first approaches to execute drug design programs and collaborate cross-functionally to support data-driven scientific solutions.

What you will do

• Apply AI-first approaches to provide technical and strategic directions and execute drug design programs
• Collaborate cross-functionally to support the data-driven delivery of high quality scientific solutions
• Establish principles for embedding cutting-edge AI/ML into modern computational chemistry workflows
• Provide strategic input and technical direction to ML platform teams
• Identify and validate therapeutic targets for early-stage portfolio projects
• Oversee external collaborations with CROs if in a Program Leadership role
• Lead programs to meet critical go/no-go milestones
• Prepare detailed scientific proposals and reports
• Line manage and mentor a team of 2-3 Computational Chemists for certain roles

Required qualifications

• PhD in Computational Chemistry, or a related scientific field, or equivalent industrial experience
• 8+ / 5+ years of professional experience in a Computational Drug Design role within a biotech, pharma or CRO setting
• Proven track record of project leadership or leading computational chemistry efforts on drug discovery programs
• Expertise in writing and implementing Python scripts for analysis and tool development, and/or utilising pipelining tools
• Prior experience leveraging machine learning and generative AI methods for hit finding, molecular design and lead optimisation
• Experience of leading a high-performing scientific team for people or program management positions
• Strong track record of scientific achievements evidenced by publications, patents, and presentations
• Excellent communication, written, verbal and interpersonal skills
• Track record of strategic thinking and creative problem solving

Nice to have

• Experience with using frontier large language models and systems
• Knowledge of fragment-based drug design (FBDD)
• Knowledge of alternative modalities like PROTACs, molecular glues, PPI inhibitors or stabilisers, peptides etc.
• Understanding of drug metabolism and pharmacokinetics (ADME + DMPK) principles

About the company

Isomorphic Labs (IsoLabs) was launched in 2021 to advance human health by building on and beyond the Nobel-winning AlphaFold system. The company uses AI to model complex biological phenomena to help design novel molecules and develop innovative medicines.