Senior Computational Scientist, Protein, Antibody Modelling

AstraZeneca UK

Location: Cambridgeshire

Job Type: Full time


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Women are 16% less likely than men to apply to a job once they’ve viewed it, but are 16% more likely to get hired after applying to a job.*
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Senior Computational Scientist, Protein, Antibody Modelling

Cambridge, UK

Competitive salary and benefits

Diverse Minds. Bold Disruptors. Significant Impact!

AstraZeneca is a global, innovation-driven BioPharmaceutical business that focuses on the discovery, development and commercialisation of prescription medicines for some of the world’s most serious disease. But we’re more than one of the world’s leading pharmaceutical companies.

Work at the cutting-edge, where scientific innovations and an entrepreneurial spirit are the norm.

And in return… we’re looking for curious minds, comfortable taking sensible risks and learning

from failures.

What we do

In our work we aim to bring wider benefits to society – building healthy communities and limiting our impact on the planet. We are committed to leading the quest to meet rising global demand for effective healthcare.

The position

This is an unique opportunity for a passionate senior computational scientist with expertise in Computational Biology, to play an influential role in drug discovery projects at AstraZeneca in Cambridge UK. The Computational Structural Biology (CSB) team is expanding and it has expertise in structural bioinformatics, protein modelling and design, molecular dynamics simulations, free-energy calculations, protein docking, and in silico prediction of physico-chemical properties of biomolecules using advanced computational methods. The team is part of Mechanistic and Structural Biology which poses leading capabilities in Crystallography, Cryo-Electron Microscopy, Biophysics, and Medicinal Chemistry. You will collaborate with structural biologists, protein scientists, biophysicists, chemists, biologists and computational scientists across all of AZ’s therapy areas. You will work proactively across multiple projects within an interdisciplinary, collaborative, dynamic environment to help develop high-quality lead molecules, ultimately leading to new clinical candidate drugs.

You will be part of a team that applies and develops computational methods and platforms to analyse and interpret macromolecules, including protein and nucleic acids structures and interactions. You will contribute to evolve the CSB team to support AZ’s growing capabilities and positively impact drug discovery projects. This is a unique opportunity to develop and work with ground-breaking, pioneering technology and apply it to biotherapeutic discovery and development projects in a dynamic and interdisciplinary environment.

What You Will Do

  • Analyse and interpret protein structure using computational modelling tools; homology modelling, molecular dynamics simulations and ML/AI.

  • Apply molecular dynamics simulations to understand protein dynamics and motions.

  • Generate scripts and workflows to enable automated analyses.

  • Apply and develop deep learning and molecular dynamics-based approaches to biologics drug discovery.

  • Be part of and contribute to multidisciplinary drug discovery project teams

Essential criteria

  • PhD in Computer Sciences applied to Biology or in Biological Sciences with practical experience in computer sciences or a related subject area.

  • Candidates should have expertise in any combination of computational, deep learning, quantum chemistry, chemical physics, molecular dynamics, biotherapeutics design, machine learning, thermodynamics or in a relevant area of computer science applied to biological systems.

  • Demonstrable strong practical and theoretical knowledge of protein structure, protein bioinformatics and prediction of physico-chemical properties of proteins, in particular antibodies.

  • programming or scripting experience in any relevant language (e.g. Python, Bash, Perl, C++,R).

  • Good track record of publications, strong research skills, and a history of innovation and achievements.

  • Excellent collaboration and verbal and written communication skills

Desirable criteria

  • Skills in machine learning and deep learning algorithms will be an advantage.

  • Experience in molecular dynamics simulations or protein structure prediction is highly desired and will be an advantage (e.g. AlphafoldF2, RosettaFold).

  • Experience of working in a drug discovery environment is highly valued.

  • Relevant post-doctoral experience is highly desired and will be an advantage.

  • Experience using multiple molecular dynamics simulation packages.

  • Experience with visual analytics.

AZ Cambridge

An exciting bioscience hotspot, Cambridge is home to one of AstraZeneca’s three strategic, global R&D Centres, alongside Gothenburg and Gaithersburg. Over 3,600 employees work from our various sites across Cambridge and our offices are internationally renowned for attracting high performers, including several Nobel prize winners.

Currently based at the Aaron Klug building on Granta Park (Cambridge) the Computational team is unbelievably excited for their pending relocation to our brand new, pioneering R&D Discovery Centre (DISC) which was officially in November 2021 by His Royal Highness, The Prince of Wales.

DISC is located at the heart of the Cambridge Biomedical Campus, and designed to play a central role in our mission to deliver life-changing medicines to patients. As our largest research and development centre in the UK, it will have more than 2,000 people working across therapy areas and drug discovery and development once fully occupied.

Find out more about our Cambridge campus and the DISC, here:

Pioneer a new future to meet global healthcare challenges

At AstraZeneca, we're dedicated to being a Great Place to Work. Where you are empowered to push the boundaries of science and unleash your entrepreneurial spirit. There’s no better place to make a difference to medicine, patients and society. Our inclusive culture champions diversity and collaboration. We always committed to life-long learning, growth and personal development.

So, what’s next?

Please complete your application as soon as possible but before the below closing date.

This role is open from Friday, 16th September 2022 and we welcome your application no later than 14th October 2022.

Where can I find out more?

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Date Posted


Closing Date


AstraZeneca embraces diversity and equality of opportunity. We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills. We believe that the more inclusive we are, the better our work will be. We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics. We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorization and employment eligibility verification requirements.

You’ve got this!