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Sekerob
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Re: At 43% for a few months now. Any updates?

A little retroactive, but we passed 45,000 CPU years for FA@H on April 8, 2007.

Based on current weekly production of 270k WU and the project end previous estimated of 3.9 million WU's, we have about 2 weeks left.... but that's what we thought before when reaching 43,400 CPU years. The newsletter Mar.07 though said we had FA@H work, including the upcoming phase with software upgrade, thru Dec.2008, so.....

Keep those fans blowing and CPU's glowing (quote from Dave) biggrin
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Former Member
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Re: At 43% for a few months now. Any updates?

Hi there.
that was on apr 14. how about today? how far is there to go now?
[Apr 30, 2007 4:47:18 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Brecht Crombez
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At 43% for a few months now. Any updates?

hi whocrazy,
if you look to this picture (from Sekerob's signature), you can see project estimate is >99% so last WU should be send out one of these days, including WU's that catch up errors on other clients
greets
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[Edit 1 times, last edit by Brecht Crombez at Apr 30, 2007 7:44:35 AM]
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Sekerob
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Re: At 43% for a few months now. Any updates?

Well, yes from past calculations we now technically have passed the 100% of the 'expected' Work Units (39,084,784). Since the scientists have been toying and subdividing phase 2 in experiments and WCG management have given no indication of the batch stream nearing an end, assume we continue with added/expanded work. If there is an end iwth the last batch load announcement, it will likely translate to 7-10 days of work remaining.

Absent any volumetric indicators, I'll leave the percent to run so we have an idea how much was added until the AutoDock4 phase kicks in (soon). Thus, you'll see a percent of > 100 below the pie-chart.

Anyway, there's work out the ying yang, so make sure to have an alternate project selected, or for BOINcers, the Alternate Work option in their project profile. They will kick in if FA@H should run dry on unattended machines.

cheers
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Former Member
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Re: At 43% for a few months now. Any updates?

Hi Brecht Crombez
Unfortunately I am totally blind, so I can't see the picture, sorry.
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Sekerob
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Re: At 43% for a few months now. Any updates?

Hi Brecht Crombez
Unfortunately I am totally blind, so I can't see the picture, sorry.

Sorry whocrazy. Saw your name at the BOINC dev. forum discussing issues related to visual impairment and should have connected. We are at 100.4% from what we previously calculated per May 01 2007.

cheers
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Former Member
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Re: At 43% for a few months now. Any updates?

I got a HPF2 work unit today, although I have selected only FA@H in my profile, where I allowed alternative projects if no work is available for my selection. I guess this means that we must be close to an end of this phase of FA@H.
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Re: At 43% for a few months now. Any updates?

Hello tomXYZ,
Wrong! smile knreed has had to stop each project in turn to correct a problem. I'll find his posts:http://www.worldcommunitygrid.org/forums/wcg/viewthread?thread=13467

Lawrence
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Re: At 43% for a few months now. Any updates?

Thank you Lawrence for the information. I wasn't aware of this. smile
Thomas
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[Edit 3 times, last edit by Former Member at May 15, 2007 12:25:09 AM]
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Sekerob
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Almost 100% for FA@H - Phase 2

What coincidence... not quite finished yet, but WCG did just update the Research page to provide a link to FightAIDS@Home News - Volume 3: Here the text:
First Results of FightAIDS@Home Research Published We have published the initial analysis of the vast number of docking results from our FightAIDS@Home computations. This week the first peer-reviewed scientific paper reporting results from our research using FightAIDS@Home is being published. As we continue to test experimentally the first batch of compounds identified in our first computational experiment, we have been able to analyze the broader computational results to give us more information about the entire range of mutations to the HIV viral protease and how they respond to a large class of diverse chemical compounds.

This analysis, and how we can use it is the subject of the paper that appears in the Journal of Chemical Information and Modelling. The paper is titled: "Analysis of HIV wild-type and mutant structures via in silico docking against diverse ligand libraries.” The authors are Max Chang, Lindy Lindstrom, Arthur Olson, and Richard Belew. The abstract of the paper reads as follows:
“The FightAIDS@Home distributed computing project uses AutoDock for an initial virtual screen of HIV protease structures against a broad range of 1,771 ligands including both known protease inhibitors and a diverse library of other ligands. The volume of results allows novel large scale analyses of binding energy profiles for HIV structures. Beyond identifying potential lead compounds, these characterizations provide methods for choosing representative wild-type and mutant protein structures from the larger set. From the binding energy pro les of the PDB structures, a PCA-based analysis identifies seven ”spanning” proteases. A complementary analysis finds that the wild-type protease structure 2BPZ best captures the central tendency of the protease set. Using a comparison of known protease inhibitors against the diverse ligand set yields an AutoDock binding energy significance threshold of -7.0 kcal/mol between significant, strongly binding ligands and other weak/non-specific binding energies. This threshold captures nearly 98% of known inhibitor interactions while rejecting more than 95% of suspected non-inhibitor interactions. These methods should be of general use in virtual screening projects, and will be used to improve further FightAIDS@Home experiments.

In simple terms, the results from FightAIDS@Home has given us the ability to classify both protease mutants and potential chemical inhibitors so that the docking calculations that we do in the future will be more targeted and efficient. We will, for instance, be able to use a small set of mutant protease structures to represent a much larger set of HIV mutants in our docking analysis. This will allow us to screen much larger chemical libraries more efficiently, or enable us to use more sophisticated models of the mutant structures, that incorporate flexibility into their representation. While this is principally a technical break-through, it means that we can get more reliable and meaningful results in the computations that we will now be pursuing. This should speed us to our goal of finding new HIV therapeutics that are effective in the face of drug resistance. These results would not have been possible without the computing resources of the World Community Grid, and the generous support of the FightAIDS@Home volunteers. We are most grateful to all of you, and your contributions are acknowledged in the paper.

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