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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]], a wiki for computational pharmacology and ligand discovery.


[[:Category:ZINC|ZINC]] || Commercially available compounds || [http://zinc.docking.org zinc.docking.org]
If you find this site confusing, DON'T PANIC.  It has several different aims and is designed for several different constituencies, which initially can be daunting.  Please work with us and help us to improve it. Your [[Contribute |contribution]] is welcome.  


= What do you want to do? =  
== So, Why are you here? ==
You may be interested in one of the main research areas of the lab. These are  a) [[:Category:Docking|Molecular Docking and ligand discovery]], b) * [[:Category:Systems pharmacology | Systems pharmacology]], c)  [[:Category:Aggregation| Colloidal aggregation of small molecules]]


== Ligands for my target ==
You may prefer to browse this site based on who you are: a) [[Welcome group members | Lab Members and colleagues]], b) [[Welcome web user | General public ]]
* [[:Category:Docking|Molecular Docking]]
* [[: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) ==
Another way the site can be viewed is by article type:
* [[:Category:Systems pharmacology | Systems pharmacology]]
* [[SEA]] || Similarity Ensemble Approach || Drug repurposing, target ID
 
== 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]].


You can also just use the search bar at the top left to try to find what you are looking for...


[[Category:Info]]
[[Category:Info]]

Revision as of 02:54, 3 June 2015

Welcome to DISI, a wiki for computational pharmacology and ligand discovery.

If you find this site confusing, DON'T PANIC. It has several different aims and is designed for several different constituencies, which initially can be daunting. Please work with us and help us to improve it. Your contribution is welcome.

So, Why are you here?

You may be interested in one of the main research areas of the lab. These are a) Molecular Docking and ligand discovery, b) * Systems pharmacology, c) Colloidal aggregation of small molecules

You may prefer to browse this site based on who you are: a) Lab Members and colleagues, b) General public

Another way the site can be viewed is by article type:

You can also just use the search bar at the top left to try to find what you are looking for...

Retrieved from "http://wiki.docking.org/index.php?title=Main_Page&oldid=8558"