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Welcome to DISI, a wiki for computational pharmacology and ligand discovery hosted by on behalf of the Irwin Lab and Shoichet Lab. This wiki in a work in progress, and aims to serve several constituencies. Please work with us and help us improve it.

Why are you here?

Are you interested in one of our main research areas:

Or try one of the other topics of this wiki.

Who are you?

This site contains information for lab members and for everyone using our public tools:

Do you have a question?

We have attempted to organize pages in several places, based on the kinds of questions you might have.


Manuals for using lab software and tools, descriptions of programs, packages, websites, etc.


Tutorials and step-by-step instructions of specific use cases.


Theory and conceptional explanations of techniques. These often not tied to a single program, package, or website and may differ from reality.


Everything else

Still haven't found what you're looking for?

Try the search bar top right to see if that works...