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- Tasks: Lead computational strategies in drug discovery and collaborate with diverse scientific teams.
- Company: Innovative biotech using AI to revolutionise 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 in relevant field and hands-on experience in computational methods.
- Other info: Opportunity for scientific ownership and collaboration with top experts.
The predicted salary is between 48000 - 72000 £ per year.
Location: Cambridge / Paris / Remote (EU/UK)
Team: Computational Chemistry / AI Drug Discovery
Who We Are
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.
The Role
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 City of 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 City of London
✨Tip Number 1
Network like a pro! Reach out to professionals in the computational chemistry field on LinkedIn or at industry events. We can’t stress enough how valuable personal connections are when it comes to landing that dream job.
✨Tip Number 2
Show off your skills! Prepare a portfolio showcasing your past projects and successes in drug discovery. We want to see how you’ve applied computational methods and influenced decisions in real-world scenarios.
✨Tip Number 3
Practice makes perfect! Get ready for interviews by rehearsing answers to common questions about computational strategies and your experience with modelling tools. We’re here to help you feel confident and prepared.
✨Tip Number 4
Apply through our website! It’s the best way to ensure your application gets noticed. We’re excited to see how you can contribute to our mission of designing better medicines, faster.
We think you need these skills to ace Senior Computational Chemist in City of 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 and expertise.
Tailor Your CV and Cover Letter: Make sure to customise your CV and cover letter for the Senior Computational Scientist role. Highlight relevant experiences, especially those involving computational methods in drug discovery. We love seeing how you can influence decision-making and contribute to our projects!
Be Clear and Concise: Keep your application clear and to the point. We appreciate well-structured documents that are easy to read. Use bullet points where necessary and avoid jargon unless it’s relevant to the role. Remember, clarity is key in communicating your ideas!
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. We can’t wait to hear from you!
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 docking, MD, and free energy calculations. Be ready to discuss how you've applied these methods in past projects and how they can influence drug discovery.
✨Show Your Collaborative Spirit
This role involves working closely with medicinal chemists and ML scientists, so highlight your experience in cross-disciplinary teams. Share examples of how you've effectively communicated complex ideas and influenced decisions in a collaborative environment.
✨Demonstrate Your Problem-Solving Skills
Prepare to discuss specific challenges you've faced in computational workflows and how you improved them. Companies love candidates who can think critically and adapt their strategies based on the strengths and limitations of different modelling approaches.
✨Be Ready to Lead
Even if you're not managing people right away, show that you can take scientific ownership. Talk about times when you've mentored junior scientists or set high standards for quality in your work. This will demonstrate your readiness to step into a leadership role.
