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WONKA and OOMMPPAA - analysis of protein-ligand interaction data to direct Structure Based Drug Design

Abstract:

In this work we describe two freely available web-based interactive computational tools that facilitate the analysis and interpretation of protein- ligand interaction data. First, WONKA which assists in uncovering interesting and unusual features (e.g. residue motions) within ensembles of protein-ligand structures and enables facile sharing of observations between scientists. Second, OOMMPPAA which incorporates protein-ligand activity data with protein-ligand structural data using 3D ma...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1107/S2059798316009529

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Department:
Kellogg College
Green, DVS More by this author
More by this author
Department:
Oxford, MSD, NDM, Structural Biology
Bradley, AR More by this author
Publisher:
International Union of Crystallography Publisher's website
Journal:
Acta Crystallographica Section D: Biological Crystallography Journal website
Volume:
73
Issue:
3
Pages:
279-285
Publication date:
2016
Acceptance date:
2016-06-13
DOI:
EISSN:
2059-7983
ISSN:
1399-0047
Pubs id:
pubs:628917
URN:
uri:c370cfa7-435f-4255-a0a7-414806377615
UUID:
c370cfa7-435f-4255-a0a7-414806377615
Local pid:
pubs:628917

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