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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 "". 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 what's new, please see News of changes


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
ZINC Commercially available compounds There are two databases zinc20 zinc22
SEA Similarity Ensemble Approach Drug repurposing, target identification, phenotypic screening.
DUDE Family Benchmarks for docking
TLDR TLDR is a Ligand Discovery Resource TLDR
Chemistry Commons Chemistry Commons Chemistry Commons
DOCK Blaster A public access service for docking screens


Databases Molecular Docking Colloidal aggregation Hit picking party
Systems pharmacology Covalent docking Chemical Space Decoys
Fragment Docking Excipients Model systems xx

Other topics

Lab members with ssh Non members without ssh Assaying Compound Activity
Run on our servers Run on your servers Set up a lab
programmatic access (API) Software Aggregator advisor


Topics Who are you? Idioms Article type Attributes Policies
Categories Tutorials Problems FAQ Manuals Jargon

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