Senior Scientist, Computational Chemist

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.

Key Responsibilities: 

Molecular Modeling & Design

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

Technology & Capability Development

• Develop, implement, and maintain bespoke tools and workflows to extract, integrate, and visualize 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 visualization tools, empowering the wider team to leverage computational approaches effectively.