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Welcome to DISI (Disi Is Still Incomplete, "dizzy"), the wiki of the Shoichet Lab and Irwin Lab at UCSF. This wiki aims to document our software tools, databases, protocols and resources related to computational ligand discovery, molecular docking and systems pharmacology as hosted at the domain "docking.org". We hope you find what you are looking for, but if not, it is editable. Just login and edit it and help us improve (please). This wiki aims to serve several constituencies. It remains a work in progress. Tell us how we are doing. For personalized help, attend Weekly office hours. For what's new, please see News of changes

Popular software and databases

Main article	Description	Notes/Links
DOCK	Our molecular docking software	There are two main branches. The latest are DOCK 3.8 and DOCK 6.11 dock.docking.org
ZINC	Commercially available compounds	There are two databases zinc20 zinc22
SEA	Similarity Ensemble Approach	Drug repurposing, target identification, phenotypic screening. sea.bkslab.org
DUDE Family	Benchmarks for docking	dude.docking.org/generate
TLDR	TLDR is a Ligand Discovery Resource	TLDR
Chemistry commons	Chemistry commons	TLDR
DOCK Blaster	A public access service for docking screens	blaster.docking.org

Other Starting Points

Topics	Who are you?	Molecular Docking	Colloidal aggregation	Model systems	Covalent docking
Lab members with ssh	Hit picking party	TLDR	Assaying Compound Activity	Tutorials	programmatic access (API)
Non members without ssh	Software	Databases	Excipients	Aggregator advisor	xxxx
manuals, as they are	Topics	Categories	Systems pharmacology	Article type	Attributes
The lab web page	FAQ	Feedback	Other tools	Problems	yyy

Still haven't found what you're looking for? Try the search bar top right to see if that works...

Outages and Support

We communicate about outages and updates via X. If our servers appear down or broken and we have not communicated this, we would be grateful to be told via jjiteam at googlegroups dot com or my text/voice to +1 (415) 937-1461

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Policies, Privacy and all that

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