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Welcome to the BKSLAB server. We offer the following:  
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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]


= Services =  
== Popular software and databases ==
* 1. Public websites: ZINC, DOCK Blaster, SEA, DUD/DUDE, Advisor. BKSLAB home page.
{| class="wikitable"
* 2. Software to download: DOCK and docking tools.
|-
* 3. Information on this wiki
! Main article !! Description !! Notes/Links
{{TOCright}}
|-
= Maintenance and Outages =
| [[:Category:DOCK |DOCK]] ||  Our molecular docking software ||  Latest are [[DOCK 3.8]] and [[DOCK 6.11]] [https://dock.docking.org dock.docking.org]
Our servers are up all the time with rare exceptions. If we must perform maintence, we will communicate this in advance via our blog http://docking.org and our twitter feed (@chem4biology). If there is an unscheduled outage, we will do our best to communicate this via twitter and the blog as soon as possible.
|-
|  [[: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]
|}


If our servers appear down or broken and we have not communicated this, we would be grateful to be told via support at docking.org or +1 415 514 4127.
== 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
|}


= Support =
Still haven't found what you're looking for? Try the search bar top right to see if that works...
Since this is a worldwide public service, we cannot offer robust support. However if you have a problem or a question, we always like to hear about it. Please write on our blog http://docking.org or our facebook page http://facebook.com/zincdb where we or a member of the community will answer if we can.


= Privacy and Security =  
= Outages and Support =
We aim to keep confidential information such as passwords secure, but we offer no guarantees. You must use our services at your own risk.
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


[[Category:Tutorials]]
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]].
 
= 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:Navigation]]

Latest revision as of 20:55, 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

Topics Systems pharmacology Molecular Docking Colloidal aggregation Model systems Covalent docking
Lab members with ssh Hit picking party TLDR Assaying Compound Activity Tutorials programmatic access (API)
Topics Software Databases Excipients Aggregator advisor Non members without ssh
WHAT - manuals, such as they are. Topics Categories Roles Article type Attributes
The lab web page FAQ Feedback Other tools 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 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.