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Former Member
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How so I find my best docking score?

How do I find the best docking score out of all the tasks I have ran?
[Dec 12, 2005 11:36:13 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Viktors
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Re: How so I find my best docking score?

You should know that we are not only interested in the "best" scores. We need the scores for the poor ones as well, which helps the scientists rule out certain candidates and may lead to a better understanding of why certain compounds bind well and others do not. In addition, sometimes the scores unexpectedly turn out to be the opposite of what the scientists expected. In these cases they learn the most about the whole process and how to improve it. So, all of the scores are equally important to us.

We would have to do a lot of extra work to accumulate such "best score" data by member. Furthermore, it might lead to people aborting what they think will be "poor" candidates in a competition to get the "best" score. This would slow down progress on the project and waste valuable CPU time. What we really need is competition to see how much each member can contribute overall.
[Dec 13, 2005 4:15:26 PM]   Link   Report threatening or abusive post: please login first  Go to top 
retsof
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Re: How so I find my best docking score?

What we really need is competition to see how much each member can contribute overall.


This is what I am sending with two fast computers and one slow one.
12/13/2005 0:000:21:58:32 861 5 so far
12/12/2005 0:004:06:32:01 2,869 11
12/11/2005 0:001:12:43:11 1,387 8
12/10/2005 0:005:00:32:50 3,017 11
12/09/2005 0:002:12:24:54 2,385 11
12/08/2005 0:001:01:04:08 992 5
12/07/2005 0:001:18:38:37 1,688 8
12/06/2005 0:005:02:23:39 3,146 10
12/05/2005 0:001:21:52:30 1,799 9
12/04/2005 0:002:02:07:04 1,983 10
12/03/2005 0:003:11:14:16 2,412 9
12/02/2005 0:002:17:03:51 2,570 13
12/01/2005 0:004:14:44:38 2,301 5
11/30/2005 0:002:03:52:08 2,060 10

Speaking of results, on December 8, my team recently sent more results in a day than ever for this project, 142. It's not the most, but only 10-14 members are currently sending each day.

Vulture Central II team thread

These stars in the box below are an at-a-glance indicator of points, but we have no icons for results. I've sent over 1,000 since July 31, 2005.

The best docking number I've seen myself is -17. Even 0 is useful, since it indicates useless drugs that can be discarded.
----------------------------------------
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%
----------------------------------------
[Edit 7 times, last edit by retsof at Dec 13, 2005 6:40:51 PM]
[Dec 13, 2005 6:30:02 PM]   Link   Report threatening or abusive post: please login first  Go to top 
Former Member
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Re: How so I find my best docking score?

smile yea, all scores are good scores. All colours are needed to create a rainbow, even when you prefer one over the others.
[Dec 14, 2005 2:10:57 AM]   Link   Report threatening or abusive post: please login first  Go to top 
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