Computational Chemistry Drug Discovery Scientist

  • LifeArc
  • Job type: Permanent
  • Closing by 21/2/2020
Apply now

Computational Chemistry Drug Discovery Scientist



LifeArc is a medical research charity with a 25-year legacy of helping scientists and organisations turn their research into treatments and diagnostics for patients.  


We are pioneering new ways to turn great science into greater patient impact at LifeArc. We do this by bringing together a network of partners to tackle specific diseases and by funding academic and early stage research.


Job Summary:

We are looking to recruit an outstanding Computational Scientist to join our expanding drug discovery team based in Stevenage. You will be focused on active support of pre-clinical projects using ligand- and structure-based methods as appropriate, including similarity searching, pharmacophore modelling, docking and QSAR


The role:

The role encompasses analysing public (e.g. ChEMBL) and proprietary (LifeArc) data to discover and communicate structure-activity relationships which, working as part of a project team can inform on the design of novel molecules for synthesis. In addition, supporting earlier stage projects, there will be an expectation to develop predictive models and perform virtual screening strategies for hit identification. You will be involved in evaluating compound libraries in terms of novelty, diversity and developability potential and in evaluating new targets using protein sequence and structure comparisons to assess factors such as selectivity and ligandability.


Who you are:

You will have a degree in a scientific discipline relevant to drug discovery, e.g. chemistry, biochemistry, and have practical scripting/programming skills - ideally utilising Python. You will be able to demonstrate a working knowledge of one or more commercial molecular modelling packages, e.g. Schrodinger, Cresset, MOE, and have begun to develop an understanding of key aspects of drug discovery such as medicinal chemistry and biological assays. Previous experience in an industrial drug discovery environment and working with workflow software such as Pipeline Pilot and visualisation software such as Dotmatics Vortex or Spotfire would be desirable. Any expertise in relevant specialist techniques such as molecular dynamics simulation, free energy perturbation, bioinformatics or machine learning/AI would also be of value to LifeArc.



Your salary will be determined by qualifications and experience. In addition, LifeArc offers a defined contribution pension scheme, private health insurance, a flexible benefits scheme, 31 days paid holiday per year.

LifeArc is committed to the principles and practices of equal opportunities and to encouraging the establishment of a diverse workforce. It is our policy to employ individuals on the basis of their suitability for the work to be performed and their potential for development, regardless of age, sex, race, colour, nationality, ethnic or national origin, disability, marital status, pregnancy or maternity, sexual orientation, gender reassignment, religion or belief.  This includes creating a culture that fully reflects our commitment to equal opportunities for all. 

To apply please email your CV and covering letter explaining why you want to work for LifeArc to: or by post to Recruitment, LifeArc, Accelerator Building, Open Innovation Campus, Stevenage, SG1 2FX (electronic applications preferred). 


Closing Date Friday 21st February 2020

Apply now

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