UK Structural Biology Forum

Computational methods development in X-ray crystallography: improved analysis of potential medicines bound to protein crystals

GlaxoSmithKline (GSK) is a research-based pharmaceutical company with a share of around 5% of the world's pharmaceutical market and around 13,000 people actively working in research teams to discover new medicines.

This position is a 6-8 week contract aimed at an enthusiastic individual to work within the Structural Biology team at the R&D site in Stevenage (summer 2013).

New advances in X-ray technologies allow rapid data collection from protein crystals, providing an opportunity to systematically screen many different chemical compounds (ligands) against a protein of interest. In GSK we have developed software wrappers for routines to automatically process X-ray diffraction data and present electron density maps with proposed ligand poses that the scientist canaccess and manage through a web based interface. We are now looking to enhance the capabilities of this platform through a more in-depth analysis of current ligand binding computational protocols.

This project will involve programming in Python, Javascript and HTML to compliment crystallographic software developed from the CCP4, Phenix and Global Phasing software developments.

Salary levels are available on request.

Please send your CV to the email address below:


Closing date: April 30th 2013


Posted on 14-Mar-2013 11:02 CET
Claudia Alen Amaro
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