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Thread Status: Active Total posts in this thread: 14
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Dear
DSFL crunchers Just today we updated the status of the DSFL project. You can see this visiting the section news of the web: http://pecet-colombia.org/worldcommunitygrid/drugsearch/ As you can quicky see red cell (261) corresponding to 261 modelled protein structures are still pending of docking out of the 583. We were doing some adjusts to our data storage system and once we have all files transfered to a NAS machine, we will run a script to try to identify the potential drug candidates based on the the docking score. Thank again to all of you for you support |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks for that progress update Dr Muskus López. Based on history, years needed to do the first 322 proteins + the original set [light blue] of 61, making it now about 60% complete of the 644 we're going to be computing overall. Give or take, that gives prognostic end of the project for current set by EOY 2013. That's way sooner than the original year expected... 2 years, 4 months from launch.
----------------------------------------We'll Crunch On. edit: spell [Edit 1 times, last edit by Former Member at Feb 9, 2013 11:41:28 AM] |
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3315 Status: Offline Project Badges:
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Thanks for the update!
----------------------------------------![]() - AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W - AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W - AMD Ryzen 7 7730U 8C/16T 3.0 GHz |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Dear WCG member.
Yes you are right. We expect that the project will be ending at the end this year. Several reason my explain this. 1. More people join to the project. We have convince people to join the project mainly in colombia. 2. At the begining each protein was docked several times against the same compound. I think four times at the very beggining and then twice, currently each proteins is docked one one, which speed up the project. And thank for continuing supporting the DSFL project best wishes |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Your are wellcome and of course thank for your help.
We expect to be loading promising anti-leishmanial drugs or compounds candidates soon. best wishes |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Dear WCG member. Yes you are right. We expect that the project will be ending at the end this year. Several reason my explain this. 1. More people join to the project. We have convince people to join the project mainly in colombia. 2. At the begining each protein was docked several times against the same compound. I think four times at the very beggining and then twice, currently each proteins is docked one one, which speed up the project. And thank for continuing supporting the DSFL project best wishes On point 2), If I remember correctly, we did quorum 2 in the beginning [2 copies of each task], so we docked each compound twice to verify the computations were correct. It in the end going much faster, I'm sure we'll be happy to compute more variations if you have additional hints of useful targets that come out of your wet-lab tests or docking score analysis. Good luck. |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks a lot for this update. It is highly appreciated.
Just one question concerning your second point: Will it reduce the accuracy in any way if the docking is done only once? |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Actually, in about 25% of the cases there's a second opinion [a wingman], to verify that a host doing it alone continues to be trusted in doing it alone. That's what Zero Redundancy checking does for all sciences that distribute/compute with init distribution 1, which are:
----------------------------------------DSFL (Of course) FAAH C4CW GFAM SN2S CEP2 HFCC The verification is either when a result is found to be invalid or errors during computing or random, where long as the last 5 sequential are valid, there's only a random check, but if there's an invalid/error, the quorum 2 [wingman required] distribution is continued until there's again a last 5 checked are valid. edit: CFSW is complete. edit2: Don't know why I skipped DSFL in the list to which the ZR rules equally apply. [Edit 3 times, last edit by Former Member at Feb 12, 2013 10:26:06 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Thanks for your reply SekeRob. What does that mean now for DSFL? This project is not part of your list. Does this mean that some accuracy is sacrificed for faster computations?
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Falconet
Master Cruncher Portugal Joined: Mar 9, 2009 Post Count: 3315 Status: Offline Project Badges:
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Thanks for your reply SekeRob. What does that mean now for DSFL? This project is not part of your list. Does this mean that some accuracy is sacrificed for faster computations? Sekerob already edited the list. ![]() - AMD Ryzen 5 1600AF 6C/12T 3.2 GHz - 85W - AMD Ryzen 5 2500U 4C/8T 2.0 GHz - 28W - AMD Ryzen 7 7730U 8C/16T 3.0 GHz |
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