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World Community Grid Forums
Category: Completed Research
Forum: OpenZika
Thread: Welcome to the OpenZika Project |
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Thread Status: Active Thread Type: Sticky Thread Total posts in this thread: 93
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges: 
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Hi Dango,
That was only the first set of screens versus the first target class, NS5. We expect to target at least a dozen different classes of proteins. Melina Mottin (in Carolina's lab) and I are currently preparing the target models for the second class of targets. Thank you all very much for your enthusiastic support!! The volunteers for this project are crunching through the jobs many times quicker than I ever experienced with GO Fight Against Malaria. Generating new docking experiments quickly enough will be difficult, but it's a great "problem" to have.  Cheers, Dr. Alex L. Perryman |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hehe, happy to be helping create your "problem". Just hope that you and/or WCG techs can keep us informed as much as possible about progress with extra screens/targets.
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SekeRob
Master Cruncher Joined: Jan 7, 2013 Post Count: 2741 Status: Offline |
You've missed the unfathomable parameter called techs. A project gets as much done from the computing pool as they allow/facilitate to be piped onto the grid. Ability has changed too, that of dynamcally sizing jobs based on machine learned computing duration of individual ligands... the grid scheduler has a limit in handling the number of jobs passing through so when 350 short ones can be fitted in one task,, these containers can circulate lots more work without risking the stability of the whole system.
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Maxxina
Advanced Cruncher Joined: Jan 5, 2008 Post Count: 115 Status: Offline Project Badges: 
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So when we get through 19K+ Initial badges, we will continue with next one right away, or you gonna need some time to evaluate the results and then prepare new ones ?
----------------------------------------[Edit 1 times, last edit by Maxxina at Jun 7, 2016 8:15:44 PM] |
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dango
Senior Cruncher Joined: Jul 27, 2009 Post Count: 307 Status: Offline Project Badges: 
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new experiment2 was published
http://openzika.ufg.br/experiments/ we will see, if also loaded into grid, just got 18022 from exp1 |
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KLiK
Master Cruncher Croatia Joined: Nov 13, 2006 Post Count: 3108 Status: Offline Project Badges: 
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new experiment2 was published http://openzika.ufg.br/experiments/ we will see, if also loaded into grid, just got 18022 from exp1 great...so last batch is 23874 in experiment 2! probably will have numerous experiments/binding sites on virus... |
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dango
Senior Cruncher Joined: Jul 27, 2009 Post Count: 307 Status: Offline Project Badges:
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yes,
additional work for 2 days :D |
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SekeRob
Master Cruncher Joined: Jan 7, 2013 Post Count: 2741 Status: Offline |
Lol, albeit the last batches set has 10000 Ligands per batch iso 1000 of the previous experiment, so make it 3 ;p)
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hey, just downloaded some of batch number 19083, their name mentions NS5 and Refined, so could this be Experiment 2 without a gap? If so, well done researchers and techs
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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist USA Joined: Aug 25, 2007 Post Count: 283 Status: Offline Project Badges:
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Hello tonyh205,
The refined model of NS5 is really an extension of Experiment 1. But it's easier for me to create a large set of batches against a large list of targets (instead of just creating batches vs. the first site on the refined NS5 target, followed by creating the batches vs. the second site on the other targets). That's why it got grouped together. Thank you much! Although we had to have a slight slow-down in the crunching while preparing the new batches (since you volunteers are giving us such a huge level of support!), we will try not to have any gaps. I put in some very long days last week in order to prepare a huge set of batches for Experiment 3. I submitted ~ 330 million new docking jobs last Thursday and Friday, and I'll submit a similar set for Experiment 4 next week. Melina Mottin in Carolina Andrade's lab will take over the reigns, in terms of doing most of the work to prepare the subsequent experiments, which will give me (and others) the time to start analyzing the results of the initial experiments. Some members of the OpenZika team will keep preparing new experiments, while other parts of the team will simultaneously analyze the results that have already arrived on Carolina's server. Thank you all again for giving us such a huge amount of your computer power!! I have been pleasantly surprised by how many tasks you have all been crunching in such a short time. Best wishes, Dr. Alex L. Perryman |
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