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mgl_ALPerryman
FightAIDS@Home, GO Fight Against Malaria and OpenZika Scientist
USA
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biggrin Re: Experiment 35 started

Hi Everybody,

Thank you very much for paying close attention and for asking these questions. I needed the reminder to update the Status page.

The description for Experiment 35 has now been added to the Status page:
http://fightaidsathome.scripps.edu/status

Experiment 35 is currently being uploaded to WCG, and it will consume the queue for quite a while.

The extensions to Experiments 33 and 34 involving the NCI Diversity Set II (with ~ 1,900 compounds) were launched with a higher priority, because we are doing a parallel experiment at TSRI that uses these same compounds and the same targets, but with a different docking program. We're going to compare the accuracy of the AutoDock results from WCG with the results of "AutoDock Vina" calculations performed on the TSRI linux cluster. Since these work units are being ran with a higher priority in the queue, the ID #'s for the work units on your computers will probably jump around a bit.

Kudos to Dr. Stefano Forli (in Prof. Art Olson's lab at TSRI) for greatly increasing the efficiency of creating the input files for the AutoDock jobs ran on FightAIDS@Home!!! Thanks to the new code that Stefano wrote, we can now create work units 5 to 10 times faster than our previous automated protocols.

Thank you all very much for your support,
Alex L. Perryman, Ph.D.
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martin64
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Re: Experiment 35 started

Thanks, Dr. Perryman for the update. FAAH is clearly one of the projects in WCG with an outstanding flow of information from the scientists, this is very much appreciated.

Since you mentioned Vina, do you have any plans to move FAAH to a new software?

Regards,
Martin
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Sekerob
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Re: Experiment 35 started

martin64,

Already been mentioned on the forum, but will as I understand it first be used/rolled out for a new research project [drool] not too far off... On FAAH, don't change horses in the middle of a race :D
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