Computational Chemistry (DDM)

Basic qualifications:

  • PhD or equivalent with relevant experience of modern simulations methods
  • Evidence of a broad knowledge of molecular simulation which will include experience of methods development
  • Demonstrated ability to use simulations methods to develop and test hypotheses
  • Detailed knowledge of protein-ligand interactions
  • Evidence of identifying, developing, and applying innovative solutions to scientific and technological problems faced in the Life Sciences
  • Evidence of strong critical thinking skills
  • Excellent written and oral communication skills and the ability to interact effectively with scientists in other disciplines with a positive, collegial, collaborative attitude

Preferred qualifications:

  • In depth knowledge of one or more of the following: free energy calculations, enhanced sampling methods, force field development
  • Knowledge of medicinal chemistry
  • Demonstrated ability to utilize computer programming and scripting languages such as R, C/C++, Python or Java
  • Knowledge of supporting experimental techniques
  • Understanding of how simulation methods complement other modeling methods used in the pharmaceutical industry
  • Knowledge of QM and/or QM/MM methods.


Job Purpose

The Computational and Modelling Sciences Department (CMS) generates and applies computational models across the drug discovery pipeline from lead discovery to late stage development. As part of CMS, the Molecular Design group works closely with multidisciplinary drug discovery teams, applying computational approaches combined with knowledge of chemistry, biology, and the drug discovery/development process to facilitate the identification, prioritisation and progression of bioactive agents. We have a vacancy for a scientist with deep expertise in modern protein-ligand simulation techniques and their application to the design of pharmaceuticals.

Our scientists are responsible for generating testable hypotheses that drive discovery programs, extracting and analyzing decision-making data associated with molecular structure and building predictive models based on such data. The successful candidate will work collaboratively with other team members to ensure that work is aligned with strategic priorities, and seek out new opportunities for impact of simulation methodologies on drug discovery at GSK.

Key Responsibilities

  • Use simulation methods to direct drug discovery programs
  • Develop capabilities in simulation-based methods by evaluating and incorporating existing methods and working with academic collaborators to drive the underlying science in a beneficial direction for GSK.
  • Be an expert resource and consultant for other members of the Molecular Design department
  • Prepare and present results to internal and external groups
  • Work with others within a matrix organization

If requiring an adjustment for a disability, once selected for interview you may contact [email protected]

Closing date for applications: 8th August 2017.

  • LI GSK*

Contact information:

You may apply for this position online by selecting the Apply now button.

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