Main Page: Difference between revisions

Revision as of 20:40, 2 March 2023

Welcome to DISI (pronounce: /dizzy/ which is short for DISI Is Still Incomplete), a wiki focusing on computational pharmacology and ligand discovery tools hosted by docking.org on behalf of the Irwin Lab and Shoichet Lab. This wiki aims to serve several constituencies, and is a work in progress. Please work with us and help us improve it.

WHO are you?

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

WHY are you here?

Docking (DOCK 3.8)
Systems pharmacology
Colloidal aggregation of small molecules
Chemical informatics
DOCKovalent_3.7 - Covalent docking
more topics

Do you have a question?

We are trying to organize these pages:

WHAT - manuals, such as they are.
HOW - Tutorials, such as they are.
WHY - still working on turning our concept into an idea.
Other - Everything else

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

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

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-Welcome to [[DISI:About | 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 [[Contribute |contribution]] is welcome.
+Welcome to [[DISI:About | DISI]] (pronounce: /dizzy/ which is short for DISI Is Still Incomplete), a wiki focusing on computational pharmacology and ligand discovery tools hosted by docking.org on behalf of the [[Irwin Lab]] and [[Shoichet Lab]].  This wiki aims to serve several [[:Category:Roles | constituencies]], and is a work in progress.  Please [[Contribute |work with us and help us improve]] it.
-[[:Category:ZINC|ZINC]] || Commercially available compounds || [http://zinc.docking.org zinc.docking.org]
+== WHO are you? ==
+This site contains information for lab members and for everyone using our public tools:
+* [[Welcome group members | Lab members with ssh]]
+* [[Welcome web user | Non members without ssh ]]
-= What do you want to do? =
+== WHY are you here? ==
+* [[:Category:Docking | Docking ]] ([[DOCK_3.8|DOCK 3.8]])
+* [[:Category:Systems pharmacology | Systems pharmacology]]
+* [[:Category:Aggregation | Colloidal aggregation of small molecules]]
+* [[:Category:Cheminformatics | Chemical informatics]]
+* [[DOCKovalent_3.7]] - Covalent docking
+* more [[:Category:Topic | topics]]
-== Ligands for my target ==
+== Do you have a question? ==
-* [[:Category:Docking|Molecular Docking]]
+We are trying to organize these pages:
-* [[:Category:Covalent]]
-* [[Hit picking party]] || [[DOCK 3.7]]
-* [[:Category:DOCK |DOCK]] ||  Our molecular docking software ||  Latest are [[DOCK 3.7]] and [[DOCK 6.6]]
-* [[DOCK Blaster]] ||  A public access service for docking screens || [http://blaster.docking.org blaster.docking.org]
-* [[DUDE]] and [[DUD]] || Benchmarks for docking|| [http://dude.docking.org/generate dude.docking.org/generate]
-* [[HEI]] || Substrate discovery and function ID ||  [http://hei.docking.org hei.docking.org] [http://metabolites.docking.org metabolites.docking.org]
-== Targets for my ligand(s) ==
+* [[:Category:Manual | WHAT ]] - manuals, such as they are.
-* [[:Category:Systems pharmacology | Systems pharmacology]]
+* [[:Category:Tutorials | HOW ]] - Tutorials, such as they are.
-* [[SEA]] || Similarity Ensemble Approach || Drug repurposing, target ID
+* [[:Category:Theory | WHY ]] - still working on turning our concept into an idea.
+* [[:Category:Article_type | Other ]] - Everything else
-== Introduction, overview, navigation, help ==
-* [[Welcome web user | Welcome! ]]
-* [[Welcome group members | Lab Members]]
-* [[:Category:Tutorials | Tutorials ]]
-* [[Assaying Compound Activity]]
-* [[:Category:Topic | Topics ]]
-* [[Special:Categories| Categories]]
-* [[:Category:Roles |Roles]]
-* [[:Category:Article type | Article type]]
-* [[:Category:Attributes |Attributes]]
-* [[:Category:Software|Software ]]
-* [[:Category:Databases | Databases]]
-* [[:Category:Free|Free]] || [[:Category:Freecom|Free to some]] || [[:Category:Commercial|Commercial]]
-== Everything else ==
-* [[Group Meeting]] || [http://www.bkslab.org Lab webpages]
-*  [[:Category:Aggregation| Colloidal aggregation]]
-* [[:Category:Model systems | Model systems ]]
-* [[:Category:FAQ|FAQ]] || [[Feedback]]
-* [[:Category:Problems | Problems]]
-* [[:Category:Theory |Theory pages]]
-* [[:Category:Jargon | Jargon]]
- [[Aggregator Advisor]] ||A public access database of known aggregators ||  [http://advisor.docking.org advisor.docking.org]
-== FOTL ==
-* [[Travel Depth]], [[qnifft DOCK 3.6 conversion| QNIFFT]] and [http://crystal.med.upenn.edu/software.html  related software] for structural analysis from the [http://crystal.med.upenn.edu/  Sharp lab]
-* [[PLOP]] - protein modeling program from the [http://francisco.compbio.ucsf.edu/~jacobson/ Jacobson group].
-* [[Modeller]] - comparative modeling program from the [http://salilab.org Sali Group].
-* Software vendors: [[OpenEye]], [[ChemAxon]], [[Molinspiration]]
-* Software providers: [[rdkit]], [[Knime]]
-* [http://zinc.docking.org/browse/catalogs/purchasable.php Compound vendors] and [http://zinc.docking.org/browse/catalogs/annotated.php Annotated catalog providers]
-* [[Contract Research Organizations]]
-* Transformative databases: [[DrugBank]], [[HMDB]], [[ChEMBL]].
+== Still haven't found what you're looking for? ==
+Try the search bar top right to see if that works...
 [[Category:Info]]
+[[Category:Organization]]