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Welcome to | Welcome to DISI (Disi Is Still Incomplete, "dizzy"), the wiki of the [[Shoichet Lab]] and [[Irwin Lab]] at [[UCSF]]. It is also a resource for information about our software tools and databases related to ligand discovery, molecular docking and systems pharmacology at the domain "docking.org". We hope you find what you are looking for, but if not, it is editable. Just login and [[contribute | edit it and help us improve]] (please). This wiki aims to serve several [[:Category:Roles | constituencies]], and is a work in progress. [https://forms.gle/LZV1FCmLWxUWznVi9 Tell us how we are doing] | ||
== | == Popular software and databases == | ||
{| class="wikitable" | |||
|- | |||
! Main article !! Description !! Notes/Links | |||
|- | |||
| [[:Category:DOCK |DOCK]] || Our molecular docking software || Latest are [[DOCK 3.8]] and [[DOCK 6.11]] [https://dock.docking.org dock.docking.org] | |||
|- | |||
| [[:Category:ZINC|ZINC]] || Commercially available compounds || [https://zinc20.docking.org zinc20] [https://cartblanche22.docking.org zinc22] | |||
|- | |||
| [[SEA]] || Similarity Ensemble Approach || Drug repurposing, target identification, phenotypic screening. [https://sea.bkslab.org/ sea.bkslab.org] | |||
|- | |||
| [[DUDE Family]] || Benchmarks for docking|| [https://dude.docking.org/generate dude.docking.org/generate] | |||
|- | |||
| [[TLDR]] ||TLDR is a Ligand Discovery Resource || [https://tldr.docking.org TLDR] | |||
|- | |||
| [[Chemistry commons]] ||Chemistry commons || [https://commons.docking.org TLDR] | |||
|- | |||
| [[DOCK Blaster]] || A public access service for docking screens || [https://blaster.docking.org blaster.docking.org] | |||
|} | |||
== | == Other Starting Points == | ||
{| class="wikitable" | |||
|- | |||
| Topics || [[:Category:Systems pharmacology | Systems pharmacology]] || [[:Category:Docking|Molecular Docking]] | |||
|| [[:Category:Aggregation| Colloidal aggregation]] || [[:Category:Model systems | Model systems ]] || [[:Category:Covalent | Covalent docking]] | |||
|- | |||
| [[Welcome group members | Lab members with ssh]] || [[Hit picking party]] || [[TLDR]] || [[Assaying Compound Activity]] || [[:Category:Tutorials | Tutorials ]] || [[:Category:API | programmatic access (API) ]] | |||
|- | |||
| [[:Category:Topic | Topics]] || [[:Category:Software|Software ]] || [[:Category:Databases | Databases]] || [[Excipients]] || [[Aggregator advisor]] || [[Welcome web user | Non members without ssh ]] | |||
|- | |||
| [[:Category:Manual | WHAT ]] - manuals, such as they are. || [[:Category:Topic | Topics ]] || [[Special:Categories| Categories]] || [[:Category:Roles |Roles]] | |||
|| [[:Category:Article type | Article type]] || [[:Category:Attributes |Attributes]] | |||
|- | |||
| [https://bkslab.org The lab web page] || [[:Category:FAQ|FAQ]] || [[Feedback]] || [[Other tools]] || [[:Category:Problems | Problems]] || yyy | |||
|} | |||
Still haven't found what you're looking for? Try the search bar top right to see if that works... | |||
= Outages and Support = | |||
We communicate about outages and updates via [https://twitter.com/chem4biology X]. If our servers appear down or broken and we have not communicated this, we would be grateful to be told via jjiteam at googlegroups dot com or my text/voice to +1 (415) 937-1461 | |||
If you have a problem or a question, we always like to hear about it. | |||
[https://forms.gle/LZV1FCmLWxUWznVi9 Tell us how we are doing]. | |||
More about ways to [[feedback | communicate with us]]. | |||
[[Category: | = Policies, Privacy and all that = | ||
We aim to keep confidential information such as passwords secure, but we offer no guarantees. You must use these services at your own risk. See our [[DISI:Privacy_policy|privacy policy]]. | |||
[[Category:FAQ]] | |||
[[Category:Public]] | |||
[[Category:Organization]] | [[Category:Organization]] | ||
[[Category:Navigation]] | |||
Latest revision as of 20:56, 26 April 2024
Welcome to DISI (Disi Is Still Incomplete, "dizzy"), the wiki of the Shoichet Lab and Irwin Lab at UCSF. It is also a resource for information about our software tools and databases related to ligand discovery, molecular docking and systems pharmacology at the domain "docking.org". 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, and is a work in progress. Tell us how we are doing
Popular software and databases
| Main article | Description | Notes/Links |
|---|---|---|
| DOCK | Our molecular docking software | Latest are DOCK 3.8 and DOCK 6.11 dock.docking.org |
| ZINC | Commercially available compounds | zinc20 zinc22 |
| SEA | Similarity Ensemble Approach | Drug repurposing, target identification, phenotypic screening. sea.bkslab.org |
| DUDE Family | Benchmarks for docking | dude.docking.org/generate |
| TLDR | TLDR is a Ligand Discovery Resource | TLDR |
| Chemistry commons | Chemistry commons | TLDR |
| DOCK Blaster | A public access service for docking screens | blaster.docking.org |
Other Starting Points
Still haven't found what you're looking for? Try the search bar top right to see if that works...
Outages and Support
We communicate about outages and updates via X. If our servers appear down or broken and we have not communicated this, we would be grateful to be told via jjiteam at googlegroups dot com or my text/voice to +1 (415) 937-1461
If you have a problem or a question, we always like to hear about it. Tell us how we are doing. More about ways to communicate with us.
Policies, Privacy and all that
We aim to keep confidential information such as passwords secure, but we offer no guarantees. You must use these services at your own risk. See our privacy policy.