Old Main

Welcome to DISI (DISI is still incomplete), a site to document the sofware and databases of our lab and Computer aided drug discovery our field. We welcome participation by groups outside UCSF and UofT and description of any relevant tools and databases, including commercial packages. This wiki may be edited by any contributor who creates an account and logs in to ensure proper attributions and citation.

Browse by Categories: Dock pages, DOCK Blaster pages, ZINC pages, Portals, Tutorials, FAQ, Problems

OUR PRODUCTS

• 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 Lots of editing.
• 2013-09-01 DOCK 3.7 released.
• 2013-04-01 Major editing effort underway in April 2013.
• 2012-10-11 Moved Wiki to Toronto. For security and to prevent spam, you must re-register your account.
• 2012-03-10 ZINC12 release and paper
• 2011-05-10 DOCK 3.6 and DOCK 6.4 releases.
• 2009-08-05 DOCK Blaster release and paper