ChEMBL

We're looking for an intern for a six month project working with the great guys and gals of the 3DFrag project. The work will be based at the EBI, situated on a lovely science adjacent to the village of Hinxton near Cambridge (UK!), but the work will be performed in close collaboration with staff from the CRT Discovery labs in Cambridge.

The project will explore the relationship between chemical space and bioactivity space, using ChEMBL as a primary data source. The aim would be to define chemical features which:

1. introduce large changes in bioactivity
2. relate to promiscuity against multiple targets 

Based on the two properties, aim to select a set of fragments for screening which: (a) Possess a high hit rate against particular target families (b) Show high hit rates against a set of diverse targets (c) Associated with being selective ligands. Apart from being able to suggest fragment libraries for screening, an additional result of this work will be improved understanding of fragment space on the 'chemogenomics' level, i.e. to which extent targets (and target families) are related, based on experimentally determined fragment bioactivities.

The internship is associated with a tax-free stipend and can be arranged under a visa waiver program for suitable candidates. The group has access to a great computing facility and a wide range of software programs for cheminformatics, data analysis, and molecular modelling. The campus has a great canteen, and free transport from the centre of Cambridge and certain surrounding areas, accommodation is usually not a problem; nor is meeting a great crowd of fun people to spend spare time with!

We are looking for a cheminformatician/molecular modeller, ideally with experience on workflow tools such as Knime/PipelinePilot and experience of chemical structure handling and property calculation. Send us a cv/resume and we will review these and set up a phone interview with shortlisted candidates. The position is available immediately.