Assistant Principal Scientist Computational Chemistry

Women Building Bio; Cambridge; Ibrido; GBP 70.000 - 110.000; Tempo pieno

Vantaggi offerti da questo lavoro

Competitive base salary

Bonus

RSUs

Extensive benefits package

Descrizione del lavoro

Women Building Bio in Cambridge is seeking an experienced Assistant Principal Scientist in Computational Chemistry to lead computational support for small-molecule drug discovery from hit identification through late lead optimisation. You will work across medicinal chemistry, CADD, cheminformatics and machine learning, applying physics-based methods and guiding project decisions.

The role combines hands-on modelling with scientific mentorship, developing workflows, communicating complex

Competenze

• PhD in Computational Chemistry, Chemistry, Chemical Physics, Biophysics or equivalent relevant experience.
• Significant industrial experience applying computational chemistry methodologies within small-molecule drug discovery.
• Demonstrated success supporting drug discovery programmes from hit identification through to lead optimisation.
• Strong expertise in physics-based computational chemistry.
• A strong understanding of medicinal chemistry, structure-based drug design and molecular recognition.
• Experience developing computational strategies that directly influence medicinal chemistry decisions.
• Excellent communication and interpersonal skills, with the ability to explain complex scientific concepts, influence multidisciplinary teams and champion evidence-based hypotheses.

Mansioni

• Lead computational chemistry support across small-molecule drug discovery programmes, from hit identification through to lead optimisation.
• Develop and implement computational strategies to guide medicinal chemistry decisions and improve compound potency, selectivity and developability.
• Apply advanced computational chemistry methodologies, including: Molecular Dynamics (MD), Free Energy Calculations, Quantum Mechanical (QM) methods, Fragment Molecular Orbital (FMO) calculations, Water thermodynamic analysis, including WaterMap, GIST or equivalent approaches.
• Generate, test and communicate scientific hypotheses that influence compound design and wider project strategy.
• Collaborate closely with medicinal chemists, structural biologists, DMPK scientists and compound profiling teams.
• Develop and implement innovative computational workflows and best practices to strengthen computational science capabilities.
• Evaluate and introduce emerging computational methodologies to improve scientific productivity and decision-making.
• Present complex computational analyses clearly and persuasively, building confidence in computational approaches and influencing multidisciplinary project teams.
• Contribute to scientific mentoring, technical excellence and the continued development of computational chemistry capabilities within the Chemistry team.

Descrizione del lavoro

Assistant Principal Scientist - Computational Chemistry

About The Role

We are seeking a highly experienced Computational Chemist to join a multidisciplinary Chemistry team, supporting the progression of small-molecule drug discovery programmes from hit identification through to late lead optimisation. Working across medicinal chemistry, computer-aided drug design (CADD), cheminformatics and machine learning, you will bring deep expertise in physics-based computational chemistry, alongside the scientific leadership and hands-on technical capabilities required to influence discovery programmes. This is an opportunity to make an immediate contribution to active drug discovery projects while helping shape and develop longer-term computational drug discovery capabilities.

Key Responsibilities

• Lead computational chemistry support across small-molecule drug discovery programmes, from hit identification through to lead optimisation.
• Develop and implement computational strategies to guide medicinal chemistry decisions and improve compound potency, selectivity and developability.
• Apply advanced computational chemistry methodologies, including: Molecular Dynamics (MD), Free Energy Calculations, Quantum Mechanical (QM) methods, Fragment Molecular Orbital (FMO) calculations, Water thermodynamic analysis, including WaterMap, GIST or equivalent approaches.
• Generate, test and communicate scientific hypotheses that influence compound design and wider project strategy.
• Collaborate closely with medicinal chemists, structural biologists, DMPK scientists and compound profiling teams.
• Develop and implement innovative computational workflows and best practices to strengthen computational science capabilities.
• Evaluate and introduce emerging computational methodologies to improve scientific productivity and decision-making.
• Present complex computational analyses clearly and persuasively, building confidence in computational approaches and influencing multidisciplinary project teams.
• Contribute to scientific mentoring, technical excellence and the continued development of computational chemistry capabilities within the Chemistry team.

Essential Requirements

• PhD in Computational Chemistry, Chemistry, Chemical Physics, Biophysics or equivalent relevant experience.
• Significant industrial experience applying computational chemistry methodologies within small-molecule drug discovery.
• Demonstrated success supporting drug discovery programmes from hit identification through to lead optimisation.
• Strong expertise in physics-based computational chemistry.
• A strong understanding of medicinal chemistry, structure-based drug design and molecular recognition.
• Experience developing computational strategies that directly influence medicinal chemistry decisions.
• Excellent communication and interpersonal skills, with the ability to explain complex scientific concepts, influence multidisciplinary teams and champion evidence-based hypotheses.

Desirable Experience

• Experience developing or implementing novel computational methods and workflows.
• Experience integrating physics-based computational chemistry methods with cheminformatics, machine learning or AI-driven approaches.
• Experience with modern computational chemistry toolkits, such as Schrödinger, OpenEye or equivalent molecular modelling platforms.
• Interest in emerging open-source tools, including OpenMM, with some experience deploying these alongside commercial platforms.
• Experience working with cloud-based or scalable computational infrastructure.
• A track record of scientific innovation demonstrated through publications, presentations or successful implementation of new methodologies.
• Experience mentoring scientists and contributing to the development of computational capabilities within a multidisciplinary research environment.

Location

• Cambridge, UK, Hybrid

Benefits

• Competitive base
• Bonus
• RSUS
• Extensive benefits package