Senior Scientist, Computational Chemist in Cambridge

Bicycle Therapeutics is a clinical-stage pharmaceutical company developing a novel class of medicines, referred to as Bicycle molecules, for diseases that are underserved by existing therapeutics. Bicycle molecules are fully synthetic short peptides constrained with small molecule scaffolds to form two loops that stabilize their structural geometry. This constraint facilitates target binding with high affinity and selectivity, making Bicycle molecules attractive candidates for drug development.

The company is evaluating nuzafatide pevedotin (formerly 5528), a Bicycle Drug Conjugate targeting EphA2; zelenectide pevedotin (formerly BT8009), a BDC targeting Nectin-4; and BT7480, a Bicycle Tumor-Targeted Immune Cell Agonist targeting Nectin-4 and agonizing CD137, in company-sponsored clinical trials. Additionally, the company is developing Bicycle Radioconjugates for radiopharmaceutical use and exploring the use of Bicycle technology to develop therapies for diseases beyond oncology.

We have a new opportunity for a Computational Chemist to join our UK team based on Granta Park, Cambridge. You will be experienced in applying computational techniques including virtual screening, molecular dynamics and applying machine learning (ML) models to analyse and interpret a broad spectrum of project data, joining a highly collaborative work environment, working with multi-disciplinary teams within our drug discovery pipeline. We are open to applications for levels across Senior Scientist, Associate Principal Scientist and Principal Scientist.

• Contribute to the computational chemistry strategy for multiple drug discovery projects, taking a lead role on key workstreams from hit identification through to lead optimisation.
• Apply advanced molecular dynamics (MD) simulations (e.g., using AMBER, GROMACS, OpenMM) to investigate protein-ligand binding, peptide conformation and system dynamics, parameterising novel ligands where necessary.
• Develop and apply predictive QSAR and machine learning models to guide the optimisation of molecular properties such as potency, selectivity and ADMET profiles.
• Utilise a range of computational chemistry techniques, including structure-based design and virtual screening, to generate testable hypotheses and guide molecular design.

• Develop, implement and maintain bespoke tools and workflows to extract, integrate and visualise complex chemical, biophysical and project data.
• Identify opportunities to deploy open-source models and applications, fine-tuning them with Bicycle’s proprietary data to augment their impact on projects.
• Mentor and train discovery scientists in the use of key analysis and visualisation tools, empowering the wider team to leverage computational approaches effectively.

• Demonstrated expertise applying computational chemistry methods to drug discovery, gained through significant industrial or post-doctoral experience.
• Proven ability to write code (e.g., Python) to solve scientific problems and analyse data.
• Experience using on-premise or cloud HPC resources (GCP, AWS) for demanding computational tasks.
• A deep knowledge of modern cheminformatics tools and AI/ML methods for drug discovery, with the ability to critically evaluate and apply them.
• Strong communication skills, with the ability to explain complex computational results to colleagues with varying levels of expertise.
• Familiarity with computational experiment design, active learning or quantum mechanical (QM) calculations would be advantageous.

• Core Expertise: You apply strong expertise in computational chemistry to independently design, execute and troubleshoot complex computational experiments.
• Data / Insight: You independently interpret complex computational data, identifying patterns and drawing conclusions that provide the basis for data-driven project recommendations.
• Knowledge Sharing: You build collective expertise within the team by actively sharing your learnings, documenting methods and helping colleagues solve technical problems.

• Task / Project Delivery: You independently deliver work of moderate to high complexity, taking ownership of significant computational workstreams that are critical to project milestones.
• Problem-Solving: You develop practical and creative solutions when scientific or technical challenges arise in your work, adapting established methods to address them.
• Strategic Impact: You provide key data and scientific insights that directly inform project decisions and help the team prioritise its next steps.

• Autonomy: You operate with a high degree of independence in your daily research activities and require only general instructions on new projects or assignments.
• Decision-Making: You select suitable scientific methods and modelling approaches with sound judgement, making technical decisions that ensure the quality and reliability of your results.
• Leadership / Mentorship: You act as an informal mentor to junior colleagues, sharing your technical expertise, providing guidance on best practices and supporting their scientific development.

• Collaboration: You act as a role model for teamwork, building strong collaborative relationships with medicinal chemists, structural biologists and data scientists to ensure computational insights are deeply integrated with experimental project data.
• Inclusive Leadership: You champion inclusivity and respect within project teams, ensuring that scientific ideas from all disciplines—whether computational, chemical or biological—are heard and valued in shaping project direction.
• Mentorship / Support: You provide structured mentorship to colleagues, helping to develop their skills in specific computational techniques, software platforms and the principles of data interpretation.

• Innovation: You introduce new scientific approaches and computational methods, such as novel simulation techniques or machine learning models, to advance projects and enhance our drug discovery capabilities.
• Risk-Taking: You take calculated scientific risks by exploring and validating novel computational tools or unproven modelling targets to achieve breakthroughs and solve challenging project problems.
• Change Leadership: You support the adoption of new software, cloud infrastructure and data analysis methods within the team, actively encouraging their use to improve project outcomes.

• Accountability: You drive computational workstreams that directly contribute to the company’s mission, taking ownership of the models and data that guide the design of potential new medicines.
• Resilience: You demonstrate persistence and adaptability when faced with complex scientific challenges, such as inconclusive modelling results, code that fails or shifting project goals.
• Inspiration: You motivate colleagues by showing passion for our purpose and clearly articulating how advanced computational design directly contributes to the goal of creating impactful therapies for patients.

• State-of-the-art campus environment with on-campus restaurant and Montessori nursery
• Flexible working environment
• Competitive reward including annual company bonus
• Employee recognition schemes
• 28 days annual leave in addition to bank holidays + option to buy up to 5 additional days annually
• Employer contribution to pension (employee does not have to contribute)
• Life assurance cover 4x basic salary
• Private Medical Insurance, including optical and dental cover
• Enhanced parental leave policies
• Group income protection
• Employee assistance program
• Health Cash Plan
• Access to company subsidised gym membership
• Eligibility for an option grant to subscribe to shares in Bicycle Therapeutics plc
• Cycle to work scheme

Bicycle Therapeutics is committed to building a diverse workforce that is representative of the communities we serve. We recognise that diverse and inclusive teams build a stronger and more innovative company. Therefore, all qualified applicants will be considered for employment, and we do not discriminate on the basis of race, religion, colour, gender, sexual orientation, age, disability status, marital status or veteran status.