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Welcome to DISI (DISI Is Still Incomplete), | Welcome to DISI (DISI Is Still Incomplete), documention of the software, databases and methods of [[[Shoichet Lab]] and the fields of [[Computer aided drug discovery | our field]] and [[Portal:Cheminformatics | cheminformatics]]. We invite you to contribute once you creates an account and log in to ensure proper attributions and citation. Eligible topics include both free and commercial software, databases, papers and methods. This is not an advertising forum, but as long as it educates or enlightens, you are welcome. [[Welcome web user | New users click HERE]]. [[Welcome group members | New group members click HERE]]. | ||
'''[[Special:Categories|Browse by Categories]]''': [[:Category:DOCK|Dock pages]], [[Chemical informatics]], | '''[[Special:Categories|Browse by Categories]]''': [[:Category:DOCK|Dock pages]], [[Chemical informatics]], | ||
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[[:Category:DOCK Blaster|DOCK Blaster pages]], [[:Category:ZINC|ZINC pages]] | [[:Category:DOCK Blaster|DOCK Blaster pages]], [[:Category:ZINC|ZINC pages]] | ||
= SOFTWARE and DATABASES = | |||
= | |||
* [[Portal:DOCK |DOCK]] - software for docking screens. | * [[Portal:DOCK |DOCK]] - software for docking screens. | ||
* [[SEA]] - the Similarity Ensemble Approach - one application of which is drug repurposing. | * [[SEA]] - the Similarity Ensemble Approach - one application of which is drug repurposing. | ||
Revision as of 15:27, 14 February 2014
Welcome to DISI (DISI Is Still Incomplete), documention of the software, databases and methods of [[[Shoichet Lab]] and the fields of our field and cheminformatics. We invite you to contribute once you creates an account and log in to ensure proper attributions and citation. Eligible topics include both free and commercial software, databases, papers and methods. This is not an advertising forum, but as long as it educates or enlightens, you are welcome. New users click HERE. New group members click HERE.
Browse by Categories: Dock pages, Chemical informatics, Portals, Tutorials, FAQ, Docking category, DOCK Blaster pages, ZINC pages
SOFTWARE and DATABASES
- DOCK - software for docking screens.
- SEA - the Similarity Ensemble Approach - one application of which is drug repurposing.
- ZINC - A public access database of commercially available compounds for screening.
- DOCK Blaster - A public access service for running docking screens.
- DUDE and DUD - A Directory of Useful Decoys for benchmarking docking programs.
- HEI - High energy intermediates for substrate discovery and function identification.
- Aggregator Advisor- A public access database of known aggregators
- Travel Depth, QNIFFT and related software for structural analysis from the Sharp lab
NEWS
- 2014-02-13 Wiki editing, progress with simplifying software transportability.
- 2013-09-01 DOCK 3.7 released.
- 2013-04-01 Major wiki editing effort.
- 2012-10-11 Moved Wiki to Toronto. For security and to prevent spam, you must re-register your account.
- 2012-05-01 DOCK 6.6 release
- 2012-03-10 ZINC12 release and paper
- 2011-05-10 DOCK 3.6 and DOCK 6.5 release.
- 2009-08-05 DOCK Blaster release and paper