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mmcphail1974@gmail.com
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How many molecules have completed grid testing?

What is the number of molecules (out of the first 2000 chosen) that have completed grid testing? How many of them show any promise in heading toward laboratory tests?
[Dec 22, 2005 5:31:00 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: How many molecules have completed grid testing?

As answered in this other thread, it may be too early to tell.

And when we run out of molecules?
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[Edit 3 times, last edit by Former Member at Dec 22, 2005 6:11:12 PM]
[Dec 22, 2005 6:09:33 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: How many molecules have completed grid testing?

More than 2 Million results have come out so far from this work. Probably the scientists have already noted which of these results are the best, probably based on the binding energy. It will be interesting to know which of them so far is the best and which computer generated this result. This information can be given to all participants in a 'dynamic' way, perhaps in the site information itself.
[Dec 23, 2005 5:35:41 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: How many molecules have completed grid testing?

It would definitely be great to see any tangible results from our crunching. Are there any issues in reporting which molecules have returned promising results?
[Dec 24, 2005 12:32:32 AM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: How many molecules have completed grid testing?

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
[Jan 24, 2006 8:54:07 PM]   Link   Report threatening or abusive post: please login first  Go to top 
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