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Computational Chemist

Stevenage or Edinburgh
Commensurate with education and experience
Closing date
Feb 1, 2023

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At LifeArc, we want to hear from people who are as passionate as we are about making life science life changing that can improve patients’ lives.

A bit about the role:

We are currently seeking a Computational Chemist to join our Data Sciences team at LifeArc. This role provides practical and theoretical expertise in computational chemistry and molecular modelling to support the progression of LifeArc projects and to ensure that we remain at the forefront in our use of modelling technologies.

Providing computational chemistry and modelling expertise to enable the progression of projects, including:

  • Analysis of structural and assay data to discover key findings and opportunities
  • Develop and deploy ligand- and structure-based approaches and models (e.g., QSAR, docking) to enable rational compound design and property prediction
  • Work closely with project team members to propose new compounds and experiments
  • Help to drive decision-making on new projects, for example using sequence and structure-based methods to assess the ligandability and selectivity potential of new targets
  • Identify and critically evaluate new methods and software

About you:
Education & experience required: 

  • First degree in relevant discipline e.g., chemistry, biochemistry, pharmaceutical chemistry, pharmacy
  • Higher degree (PhD) or equivalent experience in computational chemistry, structure-based design



  • Experience with informatics software (e.g., Dotmatics suite), databases and SQL
  • Experience with modelling proteins and protein: protein interactions with an emphasis on protein therapeutics including antibodies.
  • Any expertise in relevant specialist techniques such as molecular dynamics simulations, free energy perturbation, bioinformatics, antibody modelling or machine learning.
  • Experience in an industrial drug discovery environment


Skills & abilities:

  • Practical scripting/programming skills to enable data processing preferably using Python, R, Pipeline Pilot or KNIME
  • Able to demonstrate a working knowledge of one or more commercial molecular modelling packages, e.g., Schrodinger, Cresset
  • Excellent communication skills and the ability to forge productive relationships and collaborations both internally and externally
  • Evidence of creative thinking and problem solving

About us:

At LifeArc, our ambition is to make life science life changing. We do this by advancing scientific discoveries beyond the lab, faster, so that they can shape the next generation of diagnostics, treatments, and cures. 

Working at the cutting edge of translational science and as the early-stage translation specialists, we progress scientific discoveries on their journey to becoming a medicine, diagnostic or intervention that can improve patients’ lives. Our work begins by seeking out innovative science, then helping to develop this to a point where there is a clinical and commercial pathway for others to invest the time and money to take it further forward. 

What we can offer you:
Salary will be determined by qualifications and experience along with other exceptional benefits. Because we understand everyone has different requirements, our flexible benefits allow you to choose those which are important to you. Our pension scheme offers employer contributions of up to 12%, private health insurance, and annual leave of 31 days PLUS bank holidays. 

Join us, and you’ll have the scope to be creative and take measured risks. You’ll be rewarded for your curiosity, for working as one team, and for learning fast. And you’ll have everything you need to be your best every day. 

Don’t meet every single requirement? Studies have shown that women and people from minority ethnic backgrounds, for example, are less likely to apply to jobs unless they meet every single qualification. At LifeArc we are dedicated in building a diverse, inclusive, and authentic workplace, so whatever your background or lived experience, if you’re excited about this role but your experience doesn’t align perfectly with every qualification in the job description, we encourage you to apply anyway. Our top priority is finding the best candidate and you may be just the right candidate for this or other roles. 

We all have potential. At LifeArc, you’ll discover what you can really do with it.


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