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<p>Dear MXers</p>
<p>We are recruiting a software engineer (or scientific programmer,
or geek-minded scientist, or scientifically-minded geek) to help
us get a lot better at designing compounds from hits from
crystallographic fragment screening. <br>
</p>
<p>The post is linked to the <a moz-do-not-send="true"
href="http://www.diamond.ac.uk/Beamlines/Mx/Fragment-Screening.html">XChem
facility</a> at Diamond's beamline I04-1, set up in partnership
with the SGC-Oxford, which is now routinely hosting users every
week, allowing them to find convincing fragment hits with a few
days' worth of experiments. In 2017, over 30 users measured over
35,000 crystals in academic and industrial XChem experiments.<br>
</p>
<p>To confront the next bottleneck, namely converting low potency
fragments into high-potency compounds, we are setting up a suite
of easily accessible computational tools that streamline the
obvious yet surprisingly fiddly analyses by which to identify the
most sensible follow-up compounds that are easy to make or
procure. <br>
</p>
<p>The (initially) two-year post will, in a team of three and
depending on interests, build infrastructure, harden existing
algorithms or help evolve new ones, do web interface design, or
any combination of the above. <br>
</p>
<p>The project is seeding a nascent effort, for now aspirationally
code-named CCP-CMC (<i>CompMedChem</i>, <a moz-do-not-send="true"
href="http://www.ccp-cmc.org/">http://www.ccp-cmc.org/</a>), to
bring the awesome collaborative ethos of CCP4 and other MX tools
to computational medicinal chemistry. <br>
</p>
<p>Recruitment details <a
href="https://www.recruit.ox.ac.uk/pls/hrisliverecruit/erq_jobspec_version_4.display_form?p_company=10&p_internal_external=E&p_display_in_irish=N&p_process_type=&p_applicant_no=&p_form_profile_detail=&p_display_apply_ind=Y&p_refresh_search=Y&p_recruitment_id=132678">are
here</a>. Deadline is Monday 29 Jan (it's wrong in the link).</p>
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<div class="moz-signature">-- <br>
Prof Frank von Delft<br>
<br>
Principal Beamline Scientist: I04-1<br>
Diamond Light Source<br>
+44 1235 778997 (office: M,T,T)<br>
+44 7471 026103 (mobile)
<br>
<br>
Principal Investigator: Protein Crystallography<br>
Structural Genomics Consortium<br>
Oxford University<br>
+44 1865 617583 (office: W,F)<br>
<br>
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