Folding Forum

Hello all,

I am introducing 6 new core21 gpu projects. These projects aim to increase our understanding of how imatinib, a blockbuster anti cancer drug, binds to its various different kinase targets. In this series, I am looking at its binding to Abl(1967,1968), Src(1969,1970) and Syk(1971,1972). The bigger of number in all 3 corresponds to kinase configurations that have a larger number of water molecules and thus they have larger number of points. Given the variation in water molecule, I suspect there might be some point variation but they should average out to be within 15% across multiple runs within the same project. Let me know if there are any instabilities or issues. Thanks for all the help everyone and happy new years!


Details for 9167,9169,9171:
PPD:3700
Core:21
OS:Win/Linux
GPU:Nvidia/ATI
Deadline:10
Timeout:8
k-factor:0.75
SystemSize: ~35000-45000



Details for 9168,9170,9172:
PPD:5300
Core:21
OS:Win/Linux
GPU:Nvidia/ATI
Deadline:10
Timeout:8
k-factor:0.75
SystemSize: ~45000-55000


Thanks,
Muneeb

moving these to full fah!