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Welcome to DISI (Disi Is Still Incomplete, "dizzy"), the wiki of the Shoichet Lab and Irwin Lab at UCSF. It is also a resource for information about our software tools and databases related to ligand discovery, molecular docking and systems pharmacology 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, and is a work in progress. Tell us how we are doing. For personalized help, attend Weekly office hours.

Popular software and databases

Main article Description Notes/Links
DOCK Our molecular docking software Latest are DOCK 3.8 and DOCK 6.11 dock.docking.org
ZINC Commercially available compounds 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

If you have a problem or a question, we always like to hear about it. Tell us how we are doing. More about ways to communicate with us.

Policies, Privacy and all that

We aim to keep confidential information such as passwords secure, but we offer no guarantees. You must use these services at your own risk. See our privacy policy.