Computational Chemist

  • Salary: Competitive
  • REF Number: v-105343
  • Consultant: Georgia Barnes
  • Contact: 01246 457722
  • Date Published: 10.07.2024
  • Industry: Medical Technology
  • Location: Cambridge, Cambridgeshire, England
  • Functional Expertise: Research & Development

CK Group are working in partnership with Nxera Pharma to recruit two Computational Chemists to join their Computational Chemistry team.

Applications are welcomed from candidates that have recently completed a PhD in computational chemistry, cheminformatics, 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:

There is excellent opportunities for Computational Chemists to grow a Computer-Aided Drug Design and Cheminformatics/AI capabilities at Nxera Pharma.

This is an exciting position, leveraging the NxWave platform to support structure-based computational design 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 computational 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 computational tools that enhance the NxWave drug design process, such as:
    • Structural bioinformatics and NxStaR® Platform technology approaches
    • Structure-based molecule design and optimization of Membrane Proteins
    • Development of new computational chemistry CADD software via external collaborations
    • Development and implementation of computational tools customized for internal research and development
    • Generative models for GPCR structure-based artificially intelligent molecular design

Skills and Experience:

  • Ph.D. or equivalent experience in computational chemistry, cheminformatics, or a related discipline
  • Strong background in molecular recognition, and the structural and physicochemical property determinants of small molecule binding to proteins
  • CADD experience within a collaborative multi-disciplinary medicinal chemistry research environment
  • Working knowledge and hands-on experience with molecular modelling, computer-aided drug design and cheminformatics software packages
  • Demonstrating independent initiative, advanced analytical and critical problem-solving skills, combined with scientific innovation and integrity
  • Strong team player with an inclusive, proactive and positive can-do mindset that is willing to listen and learn from others
  • Excellent interpersonal, oral and written communication skills: you will need to be able to communicate effectively with team members having diverse professional backgrounds


  • Experience in using CADD approaches for hit finding and investigating protein-ligand interactions using data-driven and physics-based techniques, preferably in the pharmaceutical or biotech sector.
  • Drug discovery experience in the field of protein design and/or membrane proteins.
  • Programming and scripting skills (e.g. Python) or experience with pipelining tools.
  • Additional experience in cheminformatics or bioinformatics

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 105343 in all correspondence.

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