Advanced search

Message boards : News : New Year, New WUs/experiment!

Author Message
ignasi
Send message
Joined: 10 Apr 08
Posts: 254
Credit: 16,836,000
RAC: 0
Level
Pro
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwat
Message 20148 - Posted: 11 Jan 2011 | 12:07:30 UTC
Last modified: 11 Jan 2011 | 12:12:35 UTC

Happy New Year,

In this binary day 110111, I am sending some (150) new WUs tagged as *EGFR* for you to crunch. It is a brand new project that we are starting. Its goal is to find the (molecular) cause for the resistance to some anticancer drug -which is quite exciting!

More to come,
ignasi

ignasi
Send message
Joined: 10 Apr 08
Posts: 254
Credit: 16,836,000
RAC: 0
Level
Pro
Scientific publications
watwatwatwatwatwatwatwatwatwatwatwat
Message 20149 - Posted: 11 Jan 2011 | 12:10:23 UTC - in response to Message 20148.
Last modified: 11 Jan 2011 | 12:14:31 UTC

For now it is a test run where we will try to compute the binding affinity (using the method set up with the *pYEEI* and *TRYP* batches) and see if we get anything reasonable. The system is a big a** one: 80k atoms versus the 30-40k we got you used to. However, the simulation time is half to normal (2.5ns now), which on average should make about the same length in computing time than usual.

They will be a bit CPU demanding as with *pYEEI* (hopefully less). 20% bonus credits for the bothering.

cheers,
ignasi

Post to thread

Message boards : News : New Year, New WUs/experiment!