• Salary: Competitive
  • REF Number: v-105164
  • Consultant: Georgia Barnes
  • Contact: 01246 457722
  • Date Published: 10.07.2024
  • Industry: Chemical, Biotech
  • Location: Cambridge, Cambridgeshire, England
  • Functional Expertise: Other

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:

We have an excellent opportunity for a Cheminformatician to grow our Computer-Aided Drug Design and Cheminformatics/AI capabilities at Nxera Pharma.

This is an exciting position, leveraging our NxWave platform to support cheminformatic approaches in drug discovery projects and develop novel methodology/workflows for wider utility. 


Responsibilities will include:

  • Work with key stakeholders across other disciplines in Nxera Discovery to define and execute cheminformatic approaches that support delivery of projects across the portfolio.
  • Apply a broad set of computational and cheminformatic tools, workflows and models to extract, integrate, analyse and visualise complex chemical, structural, pharmacological and ADMET data to support novel molecule designs.
  • Identify and help develop novel, innovative cheminformatic tools that enhance our NxWave drug design process, 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® Platform technology approaches
    • Structure- and ligand-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.

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