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Welcome to DISI, the site where we document the computer methods in our lab. We invite you to contribute once you create an account and log in to ensure proper attributions. This is not an advertising forum, but if it educates or enlightens, your contribution is welcome.

ZINC || Commercially available compounds || zinc.docking.org

What do you want to do?

Ligands for my target

• Molecular Docking
• Category:Covalent
• Hit picking party || DOCK 3.7
• DOCK || Our molecular docking software || Latest are DOCK 3.7 and DOCK 6.6
• DOCK Blaster || A public access service for docking screens || blaster.docking.org
• DUDE and DUD || Benchmarks for docking|| dude.docking.org/generate
• HEI || Substrate discovery and function ID || hei.docking.org metabolites.docking.org

Targets for my ligand(s)

• Systems pharmacology
• SEA || Similarity Ensemble Approach || Drug repurposing, target ID

Introduction, overview, navigation, help

• Welcome!
• Lab Members
• Tutorials
• Assaying Compound Activity
• Topics
• Categories
• Roles
• Article type
• Attributes
• Software
• Databases
• Free || Free to some || Commercial

Everything else

• Group Meeting || Lab webpages
• Colloidal aggregation
• Model systems
• FAQ || Feedback
• Problems
• Theory pages
• Jargon

Aggregator Advisor ||A public access database of known aggregators ||  advisor.docking.org

FOTL

• Travel Depth, QNIFFT and related software for structural analysis from the Sharp lab
• PLOP - protein modeling program from the Jacobson group.
• Modeller - comparative modeling program from the Sali Group.
• Software vendors: OpenEye, ChemAxon, Molinspiration
• Software providers: rdkit, Knime
• Compound vendors and Annotated catalog providers
• Contract Research Organizations
• Transformative databases: DrugBank, HMDB, ChEMBL.