We are recruiting an experienced computational chemist or scientific programmer, to head the Fragalysis project for automating fragment hit progression, part of the XChem collaboration between SGC and Diamond...  The Fragalysis project leader will be tasked with converting the existing proof-of-concept tool into a production-level system that is routinely usable for analysing XChem results and designing and acquiring follow-up compounds. This will entail setting the scientific direction and priorities of the project through close and continuous interaction with expert and novice users; coordinating a growing team of scientific programmers and contractors; liaising with and expanding a wide and international set of collaborators and contributors; securing further funding for the project; helping supervise students; and developing specific methodologies of their own.

This role will be tasked with the design and acquisition of follow-up compounds based on fragment screening hits from the Target Enabling Package (www.thesgc.org/tep) and Ultra-DD (www.ultra-dd.org) programs. The successful candidate will coordinate experimental validation of the newly designed compounds with collaborating scientists in order to progress them towards potent molecules.