Skip to main content


CK Group
Closing date
7 Aug 2024

View more

Chemistry, Computational
Contract Type
Full Time

Job Details

CK Group are working in partnership with Nxera Pharma to recruit for a Cheminformatician to join their Computational Chemistry team.
Applications are welcomed from candidates that have recently completed a PhD in cheminformatics, computational chemistry, or a related discipline, through to candidates with several years post PhD experience. 
Granta Park, Cambridge.
About the company:
Nxera Pharma (formerly Sosei Heptares) is a technology powered biopharma company, in pursuit of new speciality medicines to improve the lives of patients with unmet needs globally. Their pipeline is focused on addressing major unmet needs in some of the fastest-growing areas of medicine across CNS, GI and immunology, metabolic disorders and rare diseases, and leverages the power of their unique and industry leading GPCR-targeted structure-based drug discovery “NxWave” platform to provide a sustainable source of best- or first-in-class candidates.
In Cambridge UK, Nxera have built outstanding capabilities across their platform, discovery and translational medicine teams, to advance multiple programs from pre-clinical through to early clinical development
About the role:
Nxera are looking to grow their Computer-Aided Drug Design and Cheminformatics/AI capabilities by hiring a new Cheminformatician. This role offers an exciting opportunity to participate in cutting-edge science using unique structural data whilst making significant contributions to the industry-leading drug discovery R&D. You will be part of the Computational Chemistry team which uses state-of-the-art CADD techniques to support and drive discovery projects from early exploratory stage to clinical candidate stage working closely with chemistry, pharmacology, biophysics and structural biology teams. 
You will be part of a team actively involved in Nxera Pharma’s internal and partnered drug discovery projects, and AI and SBDD collaborations, meaning significant opportunities for scientific and leadership growth to contribute to advancing and leading drug discovery projects within multi-disciplinary teams.
Responsibilities will include:
  • Contribute to multidisciplinary GPCR SBDD projects by applying a broad set of computational chemistry and cheminformatics approaches to support and creatively contribute to data-driven molecular design and medicinal chemistry efforts.
  • Develop and apply customised computational chemistry and cheminformatics tools, workflows and models to extract, integrate, analyse and visualise complex chemical, structural, pharmacological and ADMET data within the context of structure-based drug discovery.
  • Play an active role in new initiatives, such as:
    • Development of new computational chemistry CADD software via external collaborations
    • Generative models for GPCR structure-based artificially intelligent molecular design
    • Structural bioinformatics and NxStaR® data driven GPCR protein engineering
    • Structural GPCRome and chemogenomics guided virtual ligand screening
    • GPCR-customised library design and analysis of NxStaR®-enabled screens (e.g. DEL)
    • Structure-based virtual screening of ultra-large databases
Skills and Experience:
  • Ph.D. or equivalent experience in computational chemistry, cheminformatics, or a related discipline
  • Experience using cheminformatics toolkits or computational chemistry tools to solve problems such as similarity searching, matched pair analysis, clustering, QSAR modelling, visualisation of structure-activity relationships and virtual library enumeration
  • Strong coding skills in Python and familiarity with common data science packages
  • Advanced analytical and critical problem-solving skills, combined with scientific creativity and attention to detail
  • Excellent interpersonal, oral and written communication skills: you will need to be able to communicate effectively with team members having diverse professional backgrounds.
  • An interest in designing methodologies and tools that bring new insights to the drug discovery process
  • Experience in AI approaches such as Deep Generative Models or libraries such as PyTorch
  • Familiarity with querying of relational databases and use of scientific workflow systems
  • Computational chemistry experience within a collaborative multi-disciplinary medicinal chemistry research environment
  • Background in molecular recognition and the structural and physicochemical property determinants of small molecule binding to proteins
What’s in it for you?
  • State-of-the-art R&D centre located in the heart of the Cambridge science cluster· Competitive compensation package including discretionary cash bonuses.
  • Eligible for grants of Restricted Stock Units.
  • 25 days annual leave in addition to public holidays plus the option to purchase an additional 5 days each year.
  • Employer contribution to pension.
  • Private Medical Insurance for employees and family and a cash plan for dental and optical reimbursement.
  • Health and wellbeing benefits including a subsidised individual gym membership.
  • Income protection to cover long term absences due to ill health.
  • Group Death in Service equal to 4x basic annual salary.
Please quote job reference 105164 in all correspondence.


Find the career you always dreamed of

We are the CK Group, the UK’s specialist in scientific, clinical and technical recruitment.

We have 4 brands:  

  • CK Science is the leading independent scientific recruitment consultancy.
  • CK Clinical is an established leader in the clinical research and drug development sectors
  • CK Technical specialises in jobs for Engineers and IT professionals
  • CK QLS finds roles for high calibre professionals working in the science and technology sectors in Switzerland.

Over the last 28 years we have found jobs for thousands of high calibre scientists in the scientific, chemical, waste, biotechnology and pharmaceutical industries. By working with us to find your next job, you will get access to the best scientific vacancies in the UK, Europe and the rest of the world.

We are proud to be working with 18 out of the world’s top 20 scientific organisations.

We can help you find your dream job.

Company info
+44 (0)1246 457700
CK Group
Westwick House
The Bridge Business Centre
Beresford Way
S41 9FG

Apply for Cheminformatician

Already uploaded your CV? Sign in to apply instantly

Fields marked with an asterisk (*) are required

Your file must be a .doc, .pdf, .docx, or .rtf. No larger than 1MB
Selected file:
Your communication preferences

When you apply for a job we will send your application to the named employer, who may contact you. By applying for a job listed on Chemistry World Jobs you agree to our terms and conditions and privacy policy. You should never be required to provide bank account details. If you are, please contact us. All emails will contain a link in the footer to enable you to unsubscribe at any time.

Get job alerts

Create a job alert and receive personalised job recommendations straight to your inbox.

Create alert