From DISI

Welcome to DISI, a community-based project to document virtual screening and computer aided drug design, now with 337 entries. DISI is an acronym for "DISI is still incomplete" and "Documentation is still incomplete".

This site focuses on the UCSF tools such as DOCK, SEA, DUD, HEI, WINC, DOCK Blaster and ZINC, but we also actively welcome participation by groups outside UCSF. DISI is a repository for information about all aspects of structure based drug design, chemical informatics, public databases for ligand discovery and our community. This wiki may be edited by any contributor who creates an account and logs in to ensure proper attributions and citation. Welcome!

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

PRODUCTS

• DOCK - software for docking screens.
• ZINC - A public access database of commercially available compounds for screening.
• DOCK Blaster - A public access service for running docking screens.
• DUD - A Directory of Useful Decoys for benchmarking docking programs.
• HEI - High energy intermediates for substrate discovery and function identification.
• SEA - the Similarity Ensemble Approach - one application of which is drug repurposing.
• Docking tools - Software for use in docking, including database preparation.

NOTES

• How To Guides - tutorials and protocols
• Current Problems - Everything that isn't right: technical, scientific, and philosophical.
• Contribute - Notes about appropriate contributions to DISI.
• DUMM - DOCK Users' Meeting Minutes

COLLEAGUES

• PLOP and protein modeling (from Jacobson Lab)
• MODBASE - a database of comparative models (from Sali Lab)
• alchemistry.org for Alchemical calculations, from John Chodera

NEWS

• 2009-08-06 Furious writing campaign to update documentation.
• 2009-08-05 DOCK Blaster goes public.
• 2009-08-05 DOCK Blaster paper accepted at J Med Chem.