Journal article
WONKA and OOMMPPAA – analysis of protein-ligand interaction data to direct Structure Based Drug Design
- Abstract:
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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 matched m...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Version of record, pdf, 1.3MB)
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- Publisher copy:
- 10.1107/S2059798316009529
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Authors
Funding
+ Engineering and Physical Sciences Research Council
More from this funder
Funding agency for:
Bradley, A
Grant:
EP/G037280/1
Bibliographic Details
- Publisher:
- International Union of Crystallography Publisher's website
- Journal:
- Acta Crystallographica Section D: Biological Crystallography Journal website
- Volume:
- D73
- Pages:
- 279-285
- Publication date:
- 2017-02-24
- Acceptance date:
- 2016-06-13
- DOI:
- EISSN:
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1399-0047
- ISSN:
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0907-4449
- Source identifiers:
-
628917
Item Description
- Keywords:
- Pubs id:
-
pubs:628917
- UUID:
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uuid:2c28ca6c-722f-400c-8035-4ccd91e75989
- Local pid:
- pubs:628917
- Deposit date:
- 2016-06-19
Terms of use
- Copyright holder:
- Deane et al
- Copyright date:
- 2017
- Notes:
- © 2017 Deane et al. This is an Open Access article available online at [10.1107/S2059798316009529].
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