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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Hello,

First, thank you for your patience and understanding. Aside from the WCG staff, I am a one-man band in terms of TSRI-side of maintaining FA@H.

Second, thanks for the heads-up! Indeed, it seems that batches 896692-908573 (part of Experiment 164 and all of Experiments 165-166) were never submitted.

(I have learned to create lists since handling mucho data; can't you tell?)

Third, please continue to have more patience. This one-man band will momentarily be a zero-man band, for I will be leaving MGL. More than likely, some one will need to be hired to continue my work, but as of July 24, no one at MGL will have formal duties of handling FA@H--this unfortunately carries over to some limited degree to the Ebola Project (OET1).

Sincerely,

Dan

<pander>
P.S.

If anyone knows of any good leads for a job (ANY TYPE) in the Tampa Bay, FL area, please email me at daniel.n.santiago@gmail.com
</pander>
[Jul 15, 2015 4:44:45 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Shocked, outright. Translation: FA@H suffers an incomplete, quarterback sacked before the final pass.

not talking
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cjslman
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Shocked, outright. Translation: FA@H suffers an incomplete, quarterback sacked before the final pass.
Yes... shocked beyond belief !!! This sure came out of the blue. Hopefully a solution will be found in the short term.

Daniel, thanks for your help. I hope you have luck and success in your new endeavors.

CJSL

PS: Can somebody remind me what "MGL" stands for? Probably "something something Laboratory"
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ca05065
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

MGL = Molecular Graphics Laboratory
[Jul 15, 2015 5:53:17 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Mumak
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Does this mean that the FAAH project results will end up in /dev/null ?
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Papa3
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

11,881 Vina batches were never submitted!

How many batches per day does the FA@H crunching crew typically pulverize?
------
According to

https://secure.worldcommunitygrid.org/stat/vi...amp;numRecordsPerPage=365

the high point looks like 5/28/15, when 796,402 results were returned (74 years, 171 days of computing time, earning 108,340 K points).
------
So now the question is: How many results does a single batch generate?

"one AutoDock "batch" involves docking up to 1,000 compounds, while one AD Vina batch involves docking up to 10,000 compounds"

http://fightaidsathome.scripps.edu/status
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I therefore guesstimate 50 to 100 million results still to be returned, providing at least 60-90 days of crunching activity...
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[Edit 4 times, last edit by Papa3 at Jul 15, 2015 10:38:34 PM]
[Jul 15, 2015 10:05:29 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Papa3
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Molecular Graphics Laboratory
Department of Integrative Structural and Computational Biology
The Scripps Research Institute
10550 North Torrey Pines Road
La Jolla, CA 92037-1000 USA

http://mgl.scripps.edu/

TSRI @ La Jolla seems to have plenty of jobs available right now...

http://jobs.scripps.edu/jobs/?p=1
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[Edit 1 times, last edit by Papa3 at Jul 15, 2015 10:46:15 PM]
[Jul 15, 2015 10:09:06 PM]   Link   Report threatening or abusive post: please login first  Go to top 
vepaul
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Didn't get any WU the last few days for FAAH. So it's really finished?
Nearly 25 years for me ...
[Jul 16, 2015 3:20:13 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Daniel Santiago was not "sacked." He has been a great asset to the FAAH project, and a highly valued member of my laboratory. I have tried to convince him to stay on at least until his postdoctoral fellowship ended and longer if he could, but for personal reasons he felt that he had to resign his post and leave the lab. I just became aware of his plans this past week, and am now in the process of searching for a new postdoctoral researcher to take his place.

The FAAH project will continue. We are now in the process of transitioning a significant part of the computational effort to analyzing the mountains of results that have been generated from the generosity and interest of the FAAH community. Virtual screening of new and promising AIDS/HIV targets will also continue, but we, with the participation of Prof. Ron Levy at Temple University, will also be using the computational power of FAAH to examine the existing results to determine the most likely candidates for further experimental evaluation. This is a critical step in the drug development pipeline, since buying or synthesizing "false positive" compounds can be expensive in both time and money. The BEDAM computational procedure developed in the Levy Laboratory applies higher-level (and more computationally intensive) physics-based computations to the FAAH results to evaluate and remove such false positives. In addition, we are developing new data mining procedures that will look at all of the results from FAAH virutal screens to construct new filters that will also increase our rate of true positives before we send our candidates to our collaborators for synthesis and testing. A more detailed description of these efforts will be posted soon in our next progress report.

Again, I am as disappointed as many of you must be that Daniel is leaving the project, but as has been the case with the departing FAAH postdoctoral fellows of the past, we will continue thanks to IBM and the volunteers that support our work.

Art Olson
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cjslman
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Re: FightAIDS@Home Estimated Completion Date ( June 4, 2015 ) ESTIMATE!!!

Art Olson, thanks very much for the updated info. I hope a replacement for Daniel is found soon.

CJSL

Crunching for a brighter future...
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