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| [[DUDE]] and [[DUD]] || Benchmarks for docking|| [http://dude.docking.org/generate dude.docking.org/generate] | | [[DUDE]] and [[DUD]] || Benchmarks for docking|| [http://dude.docking.org/generate dude.docking.org/generate] | ||
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| [[HEI]] || | | [[HEI]] || Substrate discovery and function ID || [http://hei.docking.org hei.docking.org] [http://metabolites.docking.org metabolites.docking.org] | ||
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| [[Aggregator Advisor]] ||A public access database of known aggregators || [http://advisor.docking.org advisor.docking.org] | | [[Aggregator Advisor]] ||A public access database of known aggregators || [http://advisor.docking.org advisor.docking.org] |
Revision as of 18:25, 12 March 2014
Welcome to DISI (DISI Is Still Incomplete), documentation of the software, databases and methods of the Shoichet Lab and the fields of molecular docking and cheminformatics. We invite you to contribute once you create an account and log in to ensure proper attributions. Eligible topics include both free and commercial software, databases, papers and methods. This is not an advertising forum, but if it educates or enlightens, your contribution is welcome.
Welcome! | Lab Members | Molecular Docking | Cheminformatics |
Lab webpage | Tutorials | Theory pages | Jargon |
Portals | Categories | Hit picking party | |
FAQ | Feedback | DOCK 3.7 |
Software and Databases
Main article | Description | Notes/Links |
---|---|---|
DOCK | Our molecular docking software | Latest versions: DOCK 3.7 and DOCK 6.6 |
SEA | Similarity Ensemble Approach | Drug repurposing, target ID |
ZINC | A public access database of commercially available compounds | zinc.docking.org |
DOCK Blaster | A public access service for docking screens | blaster.docking.org |
DUDE and DUD | Benchmarks for docking | dude.docking.org/generate |
HEI | Substrate discovery and function ID | hei.docking.org metabolites.docking.org |
Aggregator Advisor | A public access database of known aggregators | advisor.docking.org |
Software by friends of the lab
- Travel Depth, QNIFFT and related software for structural analysis from the Sharp lab