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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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> |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Shocked, outright. Translation: FA@H suffers an incomplete, quarterback sacked before the final pass.
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cjslman
Master Cruncher Mexico Joined: Nov 23, 2004 Post Count: 2082 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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
Senior Cruncher Joined: Dec 4, 2007 Post Count: 328 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
MGL = Molecular Graphics Laboratory
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Mumak
Senior Cruncher Joined: Dec 7, 2012 Post Count: 477 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
Does this mean that the FAAH project results will end up in /dev/null ?
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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 ------ I therefore guesstimate 50 to 100 million results still to be returned, providing at least 60-90 days of crunching activity... [Edit 4 times, last edit by Papa3 at Jul 15, 2015 10:38:34 PM] |
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Papa3
Senior Cruncher Joined: Apr 23, 2006 Post Count: 360 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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 [Edit 1 times, last edit by Papa3 at Jul 15, 2015 10:46:15 PM] |
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vepaul
Senior Cruncher Belgium Joined: Nov 17, 2004 Post Count: 261 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
Didn't get any WU the last few days for FAAH. So it's really finished?
Nearly 25 years for me ... |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
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
Master Cruncher Mexico Joined: Nov 23, 2004 Post Count: 2082 Status: Offline Project Badges: ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() |
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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