Old Main: Difference between revisions
Jump to navigation
Jump to search
mNo edit summary |
No edit summary |
||
| Line 7: | Line 7: | ||
| [[Welcome web user | NEW USERS]] || [[Welcome group members | LAB MEMBERS]] || [[:Category:Portal|Portals]] | | [[Welcome web user | NEW USERS]] || [[Welcome group members | LAB MEMBERS]] || [[:Category:Portal|Portals]] | ||
|| [[:Category:Docking|Molecular Docking]] || [[:Category:Cheminformatics|Cheminformatics]] || [[:Category:FAQ|FAQ]] || [[Special:Categories| Categories]] | || [[:Category:Docking|Molecular Docking]] || [[:Category:Cheminformatics|Cheminformatics]] || [[:Category:FAQ|FAQ]] || [[Special:Categories| Categories]] | ||
|| [[How to hold a hit picking party]] | |||
|} | |} | ||
Revision as of 15:27, 11 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.
| NEW USERS | LAB MEMBERS | Portals | Molecular Docking | Cheminformatics | FAQ | Categories | How to hold a hit picking party |
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 | Docking benchmarks | dude.docking.org/generate |
| HEI | High energy intermediates for substrate discovery and function identification | 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