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- Tasks: Lead computational strategies in drug discovery and collaborate with diverse scientific teams.
- Company: Innovative biotech firm using AI for faster, better medicine development.
- Benefits: Competitive salary, equity options, flexible working, and clear career progression.
- Why this job: Make a real impact in drug discovery with cutting-edge computational science.
- Qualifications: PhD or equivalent experience in computational chemistry and strong modelling skills.
- Other info: Opportunity for scientific ownership and collaboration with top industry professionals.
The predicted salary is between 48000 - 72000 £ per year.
We’re a drug discovery biotech using computational science and AI to design better medicines, faster. Our work directly supports active drug discovery programs, and computational insights are part of everyday decision-making.
We’re at a stage where our platform is proven, our pipeline is moving, and we’re now looking to strengthen senior scientific ownership across programs.
We’re hiring a Senior Computational Scientist to play a leading role in our drug discovery efforts. You’ll take ownership of computational strategy across one or more programs, working closely with medicinal chemists, biologists, and ML scientists. This role is about influence as much as execution, helping teams decide what to prioritise, what to trust, and where computation adds the most value. You won’t be managing people on day one (unless that’s your strength), but you will be expected to lead scientifically and set a high bar for quality and thinking.
What You’ll Be Doing
- Owning and shaping the computational approach within active drug discovery programs
- Designing and interpreting docking, MD, and free energy calculations to guide compound decisions
- Advising teams on the strengths and limitations of different modelling approaches
- Working closely with ML scientists to combine physics-based and AI-driven methods
- Reviewing and improving computational workflows and best practices
- Communicating results clearly and confidently in project and leadership meetings
- Mentoring more junior scientists and helping raise the overall bar
What We’re Looking For
- A PhD (or equivalent industry experience) in computational chemistry, biophysics, physics, or a related field
- Several years of hands‑on experience applying computational methods in drug discovery
- Strong intuition for structure–activity relationships and molecular interactions
- Experience with industry‑standard modelling tools (e.g. Schrödinger, OpenMM, GROMACS, AMBER)
- Solid Python skills for analysis, automation, and reproducibility
- Confidence engaging with experimental teams and influencing decisions
Nice to Have
- Deep experience with free energy methods
- Exposure to AI / ML approaches in molecular design
- Experience supporting programs through hit‑to‑lead or lead optimisation in industry
Why Join Us
- You’ll have real scientific ownership and visibility across the organisation
- Computation is treated as a strategic capability, not a service function
- Strong collaboration with experimental teams and external partners
- Competitive salary, meaningful equity, and flexible working
- Clear pathways toward principal scientist or broader technical leadership roles
Senior Computational Chemist in London employer: S3 Science Recruitment
Contact Detail:
S3 Science Recruitment Recruiting Team
StudySmarter Expert Advice 🤫
We think this is how you could land Senior Computational Chemist in London
✨Tip Number 1
Network like a pro! Reach out to professionals in the computational chemistry field on LinkedIn or at industry events. A friendly chat can lead to opportunities that aren’t even advertised yet.
✨Tip Number 2
Show off your skills! Prepare a portfolio of your past projects and results, especially those related to drug discovery. This will help you stand out during interviews and showcase your hands-on experience.
✨Tip Number 3
Practice makes perfect! Conduct mock interviews with friends or mentors in the field. Focus on explaining complex concepts clearly, as communication is key when influencing decisions in a team.
✨Tip Number 4
Don’t forget to apply through our website! It’s the best way to ensure your application gets noticed. Plus, we love seeing candidates who are proactive about joining our mission in drug discovery.
We think you need these skills to ace Senior Computational Chemist in London
Some tips for your application 🫡
Show Your Passion for Drug Discovery: When writing your application, let your enthusiasm for drug discovery shine through. We want to see how your background in computational chemistry aligns with our mission to design better medicines. Share specific examples of your work that demonstrate your commitment to this field.
Tailor Your CV and Cover Letter: Make sure to customise your CV and cover letter for the Senior Computational Scientist role. Highlight relevant experience, especially in computational methods and drug discovery. We love seeing how your skills can directly contribute to our projects, so be specific about your achievements!
Be Clear and Concise: In your written application, clarity is key. Use straightforward language and avoid jargon where possible. We appreciate a well-structured application that communicates your ideas effectively, as this reflects the communication skills we value in our team.
Apply Through Our Website: Don’t forget to apply through our website! It’s the best way for us to receive your application and ensures you’re considered for the role. Plus, it shows you’re keen on joining our team at StudySmarter, which we love to see!
How to prepare for a job interview at S3 Science Recruitment
✨Know Your Stuff
Make sure you brush up on your computational chemistry knowledge, especially around drug discovery. Be ready to discuss specific modelling tools like Schrödinger or GROMACS, and how you've applied them in past projects. This shows you're not just familiar with the theory but have practical experience too.
✨Show Your Leadership Skills
Even if you’re not managing a team right away, demonstrate your ability to influence and guide others. Prepare examples of how you've shaped computational strategies or mentored junior scientists. This will highlight your potential to lead scientifically and set high standards.
✨Communicate Clearly
Practice explaining complex concepts in simple terms. You’ll need to communicate results confidently in meetings, so think about how you can present your findings effectively. Use visuals or analogies if it helps make your points clearer.
✨Be Ready for Collaboration
Since this role involves working closely with medicinal chemists and ML scientists, prepare to discuss how you’ve collaborated across disciplines in the past. Highlight any experiences where you’ve successfully integrated different approaches to solve problems in drug discovery.
