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World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: And when we run out of molecules? |
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Thread Status: Active Total posts in this thread: 8
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello all,
This are somewhat of a layman's questions (I am an engineer). I was wondering how many molecules we are testing against the HIV protease? I am presuming that a finite number of molecules has been generated. So, what happens when all those are crunched (like the cancer project)? |
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retsof
Former Community Advisor USA Joined: Jul 31, 2005 Post Count: 6824 Status: Offline Project Badges: 
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Hello all, Hasn't everything that needs engineering already been engineered?This are somewhat of a layman's questions (I am an engineer). I was wondering how many molecules we are testing against the HIV protease? I am presuming that a finite number of molecules has been generated. So, what happens when all those are crunched (like the cancer project)? grid.org was testing derivatives (minor structure changes) of 35 million molecules in their cancer project. An estimated 100 derivatives of each could give 3.5 billion molecules. I would assume that the numbers would be similar here. http://www.healthtech.com/newsarticles/issue28_1.asp It's always possible that they could change the docking acceptance parameters and have another go. There might also be some other mutations of the HIV protease that need testing. In the meantime, if it is finished and everything looks acceptable, there are more projects out there that WCG is getting ready for.
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----------------------------------------Work+GPU i7 8700 12threads School i7 4770 8threads Default+GPU Ryzen 7 3700X 16threads Ryzen 7 3800X 16 threads Ryzen 9 3900X 24threads Home i7 3540M 4threads50% [Edit 3 times, last edit by retsof at Dec 19, 2005 3:48:56 PM] |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hi tangra,
http://www.worldcommunitygrid.org/forums/wcg/viewthread?thread=4872#37956 I will repeat, everything is negotiable. We are starting out (Phase 1) looking at 2,000 compounds, a few representatives from each of a number of classes of compunds, but that is not a hard boundary. The Advisory Board will be kept informed of the research results and will make decisions based on how the situation develops. mycrofth |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Guys,
Thank you very much for the replies. This is great project and well worth the effort. I am sure we have tons of mollecules and a lot of crunching to do. Since yesterday, I have 3 Pentiums crunching and one AMD dual-core (buiding it now) coming soon. Let's keep up the good work! |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hasn't everything that needs engineering already been engineered? that's one of the dumber things I've read online today. |
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retsof
Former Community Advisor USA Joined: Jul 31, 2005 Post Count: 6824 Status: Offline Project Badges:
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Hasn't everything that needs engineering already been engineered? that's one of the dumber things I've read online today. It was a response to the premise that as soon as a predetermined number of molecules was entered, the project was declared finished. Engineers tinker. Projects tinker.
SUPPORT ADVISOR
Work+GPU i7 8700 12threads School i7 4770 8threads Default+GPU Ryzen 7 3700X 16threads Ryzen 7 3800X 16 threads Ryzen 9 3900X 24threads Home i7 3540M 4threads50% |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
From my understinding, ALL sciences benifit eachother, like the 'six engines' that got us here. With going into space, we discover new ways to create new compunds, some of them are by accident, some of them arebecasue we are taught that chem only works this way in gravity, or in our 'ruleset'. We will find new compunds, like the 'buckyball' that was a carbon accident. We will prevail, if not, die trying, thats what seperates us from the big boyz and the the 'boyz'
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
We are pleased to announce that we have posted the first volume of “FightAIDS@Home News” on the www.FightAIDS@Home.org web site. To summarise, we have completed more than a quadrillion energy evaluations of candidate-drug/HIV protease complexes, which is half-way point in the current stage in the screening. We encourage you to read volume 1 either online or by downloading the PDF. The links are:
Web page: http://fightaidsathome.scripps.edu/news/vol1.html PDF: http://fightaidsathome.scripps.edu/news/vol1.pdf (4.6 MB) We have also added an icon on the home page of FightAIDS@Home that shows the status of the current stage of the project as a pie chart. Thanks for your help so far: we are getting mind-boggling amounts of results at this end, and are beginning to put the pieces of the jig-saw puzzle together. When we know more, we will release a new issue of “FightAIDS@Home News”. Prof. Arthur J. Olson Dr. Garrett M. Morris Dr. William Lindstrom Alexandre Gillet |
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