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World Community Grid Forums
Category: Completed Research
Forum: Discovering Dengue Drugs - Together
Thread: Final Batches of DDD-T Phase 1 have been loaded. (Finished) |
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Thread Status: Active Total posts in this thread: 148
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uplinger
Former World Community Grid Tech Joined: May 23, 2005 Post Count: 3952 Status: Offline Project Badges: 
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Greetings everyone,
----------------------------------------Discovering Dengue Drugs - Together Phase 1 is almost complete!!!!  I have loaded in the last new work from the researchers last night. I am estimating that new work for DDD-T will last for about 12 days. This means that after all of the new work has been sent out, members with DDD-T selected as their only project may start seeing "No new work available for the projects selected". It will take about 10-14 days after that last new work unit has been sent to actually return all of the results to the researchers. This is due to make up work units being sent out to additional hosts for calculations. Thank you for contributing towards this project as of this posting over 11261 years of CPU time have been completed! -Uplinger (Note: these numbers are just estimates and may be off by a day or so). http://www.worldcommunitygrid.org/forums/wcg/viewthread?thread=26235 [Edit 2 times, last edit by uplinger at Aug 11, 2009 3:24:07 PM] |
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
Doing a Robby Brewer "But since you liked it so much..."
----------------------------------------Great news and entirely as a shock to me and many. edit: posted an emergency revision of Pi1 and DDDT chart which so happened to be not hours ago be refreshed to highlight 25 million results.
WCG
----------------------------------------Please help to make the Forums an enjoyable experience for All! [Edit 1 times, last edit by Sekerob at Jul 15, 2009 3:49:11 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Doing a Robby Brewer "But since you liked it so much..." Oh Robby and the "pretty screensaver"   |
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GIBA
Ace Cruncher Joined: Apr 25, 2005 Post Count: 5374 Status: Offline |
WOW... the finish date advanced months compared with the estimative of October... unfortunately don't have time to put a little bit more focus on Phase I ...
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Cheers ! GIB@
  Join BRASIL - BRAZIL@GRID team and be very happy ! http://www.worldcommunitygrid.org/team/viewTeamInfo.do?teamId=DF99KT5DN1 |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Devoted (and productive) World Community Grid members:
Echoing Keith's comments, I would like to add a hearty "WELL DONE" for getting us through Phase 1 of our Discovering Dengue Drugs-Together project. We continue to process, analyze, and test the Phase 1 results. Phase 1 is only the first step on the path to discovering dengue (and West Nile, hepatitis C, and yellow fever) drugs. It was meant to serve as a comprehensive screen of ~3 million small "drug-like" molecules and identify several thousand molecules that interact most promising with the virus enzymes. Unfortunately, this list of potential drugs, termed Phase 1 "hits", typically contains ~90-95% false positives. Thus, Phase 1 hits are very inefficient to test in the laboratory. Phase 2 of our project is designed to reduce the number of Phase 1 false positives (i.e., dead ends) that are tested in our laboratory. Phase 2 will take several thousand Phase 1 hits, run each hit through computationally demanding free energy calculations, and remove many of the false positives from the hit list. Phase 2 is expected to produce an updated list of hits that contains ~80% true positives. Testing Phase 2 hits in the laboratory will be much more productive, efficient, and rewarding than testing Phase 1 hits. For instance, to find 25 small molecules that stop dengue virus replication in the laboratory, we would need to synthesis and test either 250-500 Phase 1 hits or ~30 Phase 2 hits. We like the improved odds provided by the Phase 2 calculations. Phase 2 is expected in begin Alpha testing very soon. To our knowledge, Phase 2 calculations of the magnitude envisioned for this project have never been attempted before, and would not be possible without the incredible computing capacity of World Community Grid. We look forward to your help in completing Phase 2 of Discovering Dengue Drugs-Together. All my best, Stan |
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Sekerob
Ace Cruncher Joined: Jul 24, 2005 Post Count: 20043 Status: Offline |
Stan, what about the Leishmaniasis component added at the back end?
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WCG
Please help to make the Forums an enjoyable experience for All! |
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GIBA
Ace Cruncher Joined: Apr 25, 2005 Post Count: 5374 Status: Offline |
Devoted (and productive) World Community Grid members: Echoing Keith's comments, I would like to add a hearty "WELL DONE" for getting us through Phase 1 of our Discovering Dengue Drugs-Together project. We continue to process, analyze, and test the Phase 1 results. Phase 1 is only the first step on the path to discovering dengue (and West Nile, hepatitis C, and yellow fever) drugs. It was meant to serve as a comprehensive screen of ~3 million small "drug-like" molecules and identify several thousand molecules that interact most promising with the virus enzymes. Unfortunately, this list of potential drugs, termed Phase 1 "hits", typically contains ~90-95% false positives. Thus, Phase 1 hits are very inefficient to test in the laboratory. Phase 2 of our project is designed to reduce the number of Phase 1 false positives (i.e., dead ends) that are tested in our laboratory. Phase 2 will take several thousand Phase 1 hits, run each hit through computationally demanding free energy calculations, and remove many of the false positives from the hit list. Phase 2 is expected to produce an updated list of hits that contains ~80% true positives. Testing Phase 2 hits in the laboratory will be much more productive, efficient, and rewarding than testing Phase 1 hits. For instance, to find 25 small molecules that stop dengue virus replication in the laboratory, we would need to synthesis and test either 250-500 Phase 1 hits or ~30 Phase 2 hits. We like the improved odds provided by the Phase 2 calculations. Phase 2 is expected in begin Alpha testing very soon. To our knowledge, Phase 2 calculations of the magnitude envisioned for this project have never been attempted before, and would not be possible without the incredible computing capacity of World Community Grid. We look forward to your help in completing Phase 2 of Discovering Dengue Drugs-Together. All my best, Stan For sure. All DDDT crunchers and lovers here in WCG probably will be in ! Just start it second phase and we will continue put focus on DDDT. So I would like to congratulate you and your team to reached this important milestone with DDDT. Impressive ! good luck with your project next steps. 
Cheers ! GIB@
Join BRASIL - BRAZIL@GRID team and be very happy ! http://www.worldcommunitygrid.org/team/viewTeamInfo.do?teamId=DF99KT5DN1 |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Stan, what about the Leishmaniasis component added at the back end? Sekerob: The last DDDT workunit (17xx) is a Leishmania target. Leishmania targets will be treated the same as dengue, West Nile, hepatitis C targets (i.e., each target's Phase 1 hit list will move into Phase 2 calculations). DDDT Phase 2 will systematically work through all Phase 1 targets. The Leishmania calculations will continue to be done with our collaborators in Colombia, and laboratory testing will be done at university research laboratories in Colombia. All my best, Stan |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
wow, i'm very suprised we jumped this quickly from october.
glad i just buffered what looks like enough DDTT WUs to get me a bronze. Cheers to being months ahead of expectations :D |
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Greg Lyke
Advanced Cruncher Joined: May 30, 2008 Post Count: 50 Status: Offline |
Congrats to all, Phase 1 was an impressive amount of work and Phase 2 looks to be quite exciting with the potential advancements in the science.
Stan, If Phase 2 is to narrow down the results from Phase 1, do you have an estimate on how big it will be (in computing years) compared with Phase 1? However big it is though, it sounds like there will be some impressive advancements coming in the next few years. I'm glad that I can contribute in whatever minor I can to the effort. |
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