Docking@Home

[russkris]

Docking@Home is currently in ALPHA Test
and isn't open to new member, only by invite

Docking@home is a collaborative project that aims to accomplish both bioscience and computer science goals. From the bioscience point of view, the project aims to further knowledge of the atomic details of protein-ligand interactions and, by doing so, will search for insights into the discovery of novel pharmaceuticals. From the computer science point of view, this project aims to extend volunteer computing to enable adaptive multi-scale modeling of the docking applications: different models that represent the same phenomena in nature with different level of accuracy and resource requirements will be chosen at run-time based on results collected so far and characteristics of the protein-ligand complex. Docking@home involves collaboration among the University of Texas - El Paso, The Scripps Research Institute (TSRI), and the University of California - Berkeley and is powered by BOINC (http://boinc.berkeley.edu/). Docking@home is part of the DAPLDS (http://gcl.utep.edu/projects/daplds/) project (or Dynamically Adaptive Protein-Ligand Docking System project) and is supported by the National Science Foundation (NSF).

Learn more (http://docktest.utep.edu/docking/science.php) about the science and computer science behind the Docking@Home project.

[mike047]

I tried getting an invite and at the time they needed linux and or mac/pentium platforms.[???? can't remember for sure:(] Mine are all XP and AMD and they did not need me. I emailed one of the scientist to get the invite, it was hard to find an email link at the time.

[russkris]

You still got the link?

[Webmaster Yoda]

You can find details of the project team at http://docking.utep.edu/about_team.php
Both the top two people listed have an email address on their personal page.

While I'm here... I have had mixed results with Docking. It seems to be quite difficult for some computers to compute their work as I have had quite a few results deemed invalid. They also have a problem with Linux - the participant may need to make changes to their local settings so work units don't crash (runs out of stack space).

Project admins are responsive though and they're looking at getting a fixed credit system so competition will be fair.

[mikett]

Interesting. I'm tried to get an invite now.

[umccullough]

Interesting. I'm tried to get an invite now.

sig SPAM...

[russkris]

Still requires Invite code....:(

[mike047]

This is an open project now:D

[russkris]

What Vault Catorgory would it fit in?

Let get started.. Hows this project going

[umccullough]

Well, it's only just opened up this week I think, so it's hard to say how it's going.

I have attached one client to it and it was getting steady work AFAICT.

[russkris]

Yes but all the people that had invites can give us an idea how it went, while in testing

[mewbysea]

Docking has had few problems, often quickly corrected by a very interactive group from the project. Their move to the University of Delaware and recent server upgrades have gotten them to the point of going to open beta and they've done it quickly since coming back on-line in mid-summer.

Should be a good biological project for the Vault.

[Wabbit98]

You no longer need an invite to sign-up for Docking@Home. (or I might be confusing that with another project, but I do not believe so.)

Ni

[KAMCOBILL]

I've been attached since 2006 and it been slow up until mid August 2008. Has been running well and plenty of work since then.

[mike047]

I have been running 13 quads and a dual quad 24/7 without any issues. This a well established project that has gone public recently.

From their front page;

Docking@Home is a collaborative project that aims to accomplish both bioscience and computer science goals. From the bioscience point of view, the project aims to further knowledge of the atomic details of protein-ligand interactions and, by doing so, will search for insights into the discovery of novel pharmaceuticals. From the computer science point of view, this project aims to extend volunteer computing to enable adaptive multi-scale modeling of the docking applications: different models that represent the same phenomena in nature with different level of accuracy and resource requirements will be chosen at run-time based on results collected so far and characteristics of the protein-ligand complex. Docking@Home involves collaboration among the University of Delaware, The Scripps Research Institute (TSRI), and the University of California - Berkeley and is powered by BOINC. (http://boinc.berkeley.edu/) Docking@Home is part of the DAPLDS (http://gcl.cis.udel.edu/projects/daplds/) project (or Dynamically Adaptive Protein-Ligand Docking System project) and is supported by the National Science Foundation (NSF).

mike

[cswchan]

Just attached to the project... will run for a bit... seems to play nicely with everything else...

[KAMCOBILL]

Still running great.

[russkris]

Added to the Vault

[KAMCOBILL]

Thanks Very Much! Happy Crunching.

[mike047]

Many thanks from the #1 team at Docking:)

[leavitron]

Thank you for adding this to the Vault. I think it was a good replacement for Tanpaku. Are you going to be doing some more "pruning" Russ?