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Achieving a good crystal system for crystallographic X-ray fragment screening

Abstract:

The XChem facility at Diamond Light Source offers fragment screening by X-ray crystallography as a general access user program. The main advantage of X-ray crystallography as a primary fragment screen is that it yields directly the location and pose of the fragment hits, whether within pockets of interest or merely on surface sites: this is the key information for structure-based design and for enabling synthesis of follow-up molecules. Extensive streamlining of the screening experiment at XC...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1016/bs.mie.2018.09.027

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Role:
Author
ORCID:
0000-0002-6265-9922
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Role:
Author
ORCID:
0000-0001-6015-320X
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Publisher:
Elsevier Publisher's website
Volume:
610
Pages:
251-264
Series:
Methods in Enzymology
Host title:
Modern Approaches in Drug Discovery
Publication date:
2018-10-15
DOI:
ISSN:
0076-6879
Pubs id:
pubs:934894
URN:
uri:d6faff7d-b4d0-4c68-beee-b53351cc258b
UUID:
uuid:d6faff7d-b4d0-4c68-beee-b53351cc258b
Local pid:
pubs:934894
ISBN:
978-0-12-815383-3

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