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Re: Current status of the Drug Search for Leishmaniasis project


Wow.
I'll just leave this here for yojimbo197 without further comment.

"Right now WCG members are crunching through the Help Conquer Cancer CPU+GPU WCG projects work units at a pace that will exhaust all projects that project within a few months."

"all projects" here at WCG, no?
http://www.worldcommunitygrid.org/stat/viewProjects.do


Allow me to take a crack at it, too...
Without the strikethroughs, since it's getting cluttered :-)

"WCG members are currently crunching through the Help Conquer Cancer CPU+GPU work units at a pace that should complete that task within a few months."

Being that WorldCommunityGrid is itself the "Project" with HCC one of the Tasks we can select from here at the WCG Project.



I've previously cited some of WCG's own contributions (as in that link's '.do' filename) to the Project/Task/Work Unit nomenclature (vernacular/jargon) confusion.
[Oct 31, 2012 8:02:22 PM]   Link   Report threatening or abusive post: please login first  Go to top 
gb009761
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Re: Current status of the Drug Search for Leishmaniasis project

Getting back on topic, thanks for the update carmusk - as with all contact with/from the project scientists behind what we're attempting to do here, it's much appreciated.
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Re: Current status of the Drug Search for Leishmaniasis project

Your are welcome and we appreciate your support to try to identify potential chemical compounds that can kill Leishmania parasites without side effect, cheaper, and preferably of oral administration.

Thanks also for your opinion about the update. I think that including graph may help chrunchers to understand the real status of the proyect in terms of proteins already docked. I have to think about the way of presenting the quality of the results.

Best wishes and thanks again for your comments and help.
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Re: Current status of the Drug Search for Leishmaniasis project

Your are welcome Sgt.Joe and thanks for your help.
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Re: Current status of the Drug Search for Leishmaniasis project

Dear Yojimbo 197.

Yes your are right, and thanks. We will evaluate the chance of using GPU in the project in order to speed it up. In fact the WCG team warned us about the chance of using GPU.

Best wishes and thanks for your support
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Re: Current status of the Drug Search for Leishmaniasis project

Dear Master cruncher gb009761.

Thanks for your comments about the update. And yes, we were worried about not sending an update of the project sooner. Unfortunately, there are season times that we are so busy at the university. But I am going to try to be doing updates more frequently.

thanks for your support and collaboration

best wishes
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johncmacalister2010@gmail.com
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Re: Current status of the Drug Search for Leishmaniasis project

Hi carmusk:

Many thanks for the update report. This just reinforces for me the importance of our WCG crunching, without which, IMHO, the probability of finding drugs/treatment for many diseases would tend to zero. The numbers are staggering.
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crunching, crunching, crunching.

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Falconet
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Re: Current status of the Drug Search for Leishmaniasis project

Thanks for the updates!

Are any of those compounds being tested on the lab? Any of them showing promising results?
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[Edit 1 times, last edit by Falconet at Nov 1, 2012 1:54:36 PM]
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Sgt.Joe
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Re: Current status of the Drug Search for Leishmaniasis project

Sgt.Joe, my bit counter makes it 132 blue boxes, when 530 are needed {The bottom+left green row/column to be subtracted from what is required under the new model pick rational}. If you add green to the blue boxes, we've really done about 250 models = 27 million results] in about 13 months. Does make it look like less than 2 years to go.

OK, I am going to take another stab at it. As of 10-31-2012 I counted 253 blue plus green boxes and the statistics showed 27,391,535 WU's completed. This would give about 108,267 WU's per protein structure (I had earlier assumed, evidently erroneously, 600,000 WU's per protein structure. Evidently some WU's must attempt to dock more than one ZINC compound per WU - given 600,000 chemical compounds in the ZINC library. Or, maybe some of the ZINC library items are skipped if the scientists think they should be skipped.) If the average number of WU's per protein structure should remain constant then with about 330 structures left to process at a daily average of about 90000 WU's this would give about 397 days of work left or around 13 months. If that is true then the total length of the project would be about 26 months or 2 years and 2 months. I am thinking the scientists like this number better than the 9 year figure. biggrin
Cheers
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*Minnesota Crunchers*
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Re: Current status of the Drug Search for Leishmaniasis project

As the red units start finishing up, will the remainder be re-prioritised and crunched or are there other plans for the project?
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