New Year, New WUs/experiment!

Author	Message
ignasi Send message Joined: 10 Apr 08 Posts: 254 Credit: 16,836,000 RAC: 0 Level Scientific publications	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 ID: 20148 · Rating: 0 · rate: / Reply Quote

ignasi Send message Joined: 10 Apr 08 Posts: 254 Credit: 16,836,000 RAC: 0 Level Scientific publications	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 ID: 20149 · Rating: 0 · rate: / Reply Quote