April 26, 2018

By Nuritas

Computational Chemist

As a Computational Chemist, you will be working closely with our Peptide Chemist and our Artificial Intelligence experts to optimize our peptide leads for clinical effectiveness. Our technology and future developments are focused around using AI to revolutionise how we target, predict and unlock new drugs and preventative molecules for various diseases, and this role will be heavily integrated with all aspects of this pipeline.

In addition to this, the other responsibilities will cover areas such as:

  • Strong collaboration with our AI experts to design systems representing peptides and their chemical properties
  • Using a broad computational chemistry toolkit to drive the design and optimization of peptides
  • Design new algorithms and methodologies to quantify peptide improvements including modifications, bioavailability and efficacy

Qualifications & Experience

  • PhD in Computational Chemistry, Cheminformatics or Computational Molecular Biology. Substantial relevant experience may be substituted for PhD requirement.
  • Industry experience in pharmaceutical research and development desirable
  • Expert level experience in one or more of the following:
    • Computational chemistry packages (e.g. Schrodinger, Pipeline Pilot, MOE, KNIME, RDkit)
    • Ligand and structural based techniques (Docking, screening, QSAR)
    • Molecular dynamics simulations
    • Cheminformatics research (unstructured data mining, retrosynthesic analysis, novel chemical fingerprints)
  • Experience in scripting languages, Python is a big plus
  • Experience in Git version control systems is preferred
  • Outstanding written and oral communication skills, and interpersonal skills to seamlessly fit within a teamwork driven environment.


  • Natural ability to problem solve
  • Hard worker
  • Exceptional organisation skills and ability to optimise working environment
  • Demonstrated capability in project management & building relationships.
  • Possess excellent communication skills
  • A team player with strong influencing skills.
  • Ability to communicate with experimental biologists, computer scientists and non-scientists

How to apply

Submit your CV and Cover letter in a PDF format to