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World Community Grid Forums
Category: Completed Research
Forum: Discovering Dengue Drugs - Together
Thread: Welcome to Discovering Dengue Drugs – Together |
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Thread Status: Active Total posts in this thread: 53
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Note scientist post #1 We hope that the scientists will pop in now and then for a progress % report of data crunching here for them. In case it was not clear in a previous post: We will do our best to keep the community updated, both here and on the Project Status page of our project's web site (www.utmb.edu/discoveringdenguedrugs-together". Please visit both areas for updates. We thank you for your support and enthusiasm, and we look forward to finding cures by working together. watowich |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Yesterday: Total Run Time (y:d:h:m:s) 0:025:14:28:56 Points Generated 51,336 Results Returned 166 I hope this picks up some more speed tomorrow  And it did... Total Run Time (y:d:h:m:s) 6:231:18:23:18 Points Generated 3,882,915 Results Returned 12,456 gota love it... |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We thank you for your support and enthusiasm, and we look forward to finding cures by working together. watowich We're glad to help - looking forward to this new project and combating Flavivirus/Dengue. We REALLY appreciate any feedback/updates from project scientists - they keep us encouraged. Thanks again watowich! [Edit 1 times, last edit by Former Member at Aug 22, 2007 2:55:27 AM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
good work utmb, just download the bonic.. in setup what url i should use?
it is aksing for project url thanks |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hey ssnegi,
----------------------------------------Use www.worldcommunitygrid.org as the project URL in BOINC. You can select/de-select projects under My Grid --> My Projects. [Edit 1 times, last edit by Former Member at Aug 23, 2007 4:51:22 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
thanks a ton.
Diseases associated with developing countries do not get the attention that they deserve Partially true but dengue is also common everywhere.. even in united states.  |
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JmBoullier
Former Community Advisor Normandy - France Joined: Jan 26, 2007 Post Count: 3716 Status: Offline Project Badges: 
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From this other post
----------------------------------------Interesting News Articles Related to Dengue Watowich estimates the analysis will require comparing about 6.5 million molecules to 50 different variants of the protein. ... With that approach, dubbed "Discovering Dengue Drugs -- Together," Watowich figures the whole thing should take about a year. Reading this I first think 6.5 million molecules * 50 variants * quorum of 2 = 650 million results. Then I check the WCG Global Statistics and i see about 110 million results in a little less than 3 years. Where am I wrong? Several molecules per work unit, maybe? Cheers. Jean. |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
From this other post Interesting News Articles Related to Dengue Watowich estimates the analysis will require comparing about 6.5 million molecules to 50 different variants of the protein. ... With that approach, dubbed "Discovering Dengue Drugs -- Together," Watowich figures the whole thing should take about a year. Reading this I first think 6.5 million molecules * 50 variants * quorum of 2 = 650 million results. Then I check the WCG Global Statistics and i see about 110 million results in a little less than 3 years. Where am I wrong? Several molecules per work unit, maybe? Cheers. Jean. Your analysis seems right... Autodock only does one ligand to one protein during a single WU though; at least that's what I've been told in the past for FAAH. Maybe it is different for Dengue...? [Edit 1 times, last edit by Former Member at Aug 24, 2007 2:09:22 PM] |
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
I dont see 110 million results, lest referring to the overall projects totals.... I see this for DDDT:
----------------------------------------Totals: Run Time (y:d:h:m:s) 48:061:02:18:48 Points Generated 26,774,151 Results Returned 79,938 79 thousand 9 hundred 38 results quorum 2 = 40 thousand more or less. And it took 48 CPU years.... the estimation published elsewhere was 50,000 CPU years. Supposing we will soon reach 60-70 CPU Years per day on shared project basis, it suggests 700+ days.
WCG
----------------------------------------Please help to make the Forums an enjoyable experience for All! [Edit 2 times, last edit by Sekerob at Aug 24, 2007 2:25:31 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
I think JmBoullier was referring to the Global Stats:
----------------------------------------Results Returned 109,323,702 Total Run Time 108,473 years And WCG has a calendar runtime for a little over 3 years. Here's my analysis based on FAAH (and using JmBoullier's WU #s): FAAH: Run Time (y:d:h:m:s) 56,094:159:00:42:35 Results Returned 47,903,027 Dengue: 6.5m ligands X 50 protein structures X quorum of 2, which is 650,000,000 results. If it took FAAH 56,000 CPU years for 48,000,000 results, then it will take Dengue 758, 333 CPU years (unless there are multiple ligands per WU): 56,000/48,000,000 = [Dengue CPU years] / 650,000,000. Solving for [Dengue CPU years] = 758, 333 CPU years So...either there are multiple ligands per WU, or the # of ligands or protein structures is incorrect (in the article posted by Sekerob).... otherwise even at 100 CPU years/day for Dengue, it would take 20 calendar years!  [Edit 3 times, last edit by Former Member at Aug 24, 2007 5:20:47 PM] |
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