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Releasing p13784 to p13787 to FAH

Posted: Mon Oct 16, 2017 3:50 pm
by yunhui
Releasing new SMP A4 (GRO_A4) projects p13784-p13787 to FAH.
These are simulations of four different ligands designed as MDM2 inhibitors. This work aims to provide us binding mode of these ligands for MDM2 which is an important system in cancer therapeutics.
A full description of these projects is here: http://fah-web.stanford.edu/cgi-bin/fah ... ed?p=13700

Projects: 13784
stats credit: 1211
timeout: 18.5
deadline 40.5
k-factor v=0.75
number of atoms: 37074

Projects: 13785
stats credit: 1211
timeout: 18.5
deadline 40.5
k-factor v=0.75
number of atoms: 37072

Projects: 13786
stats credit: 1212
timeout: 18.5
deadline 40.5
k-factor v=0.75
number of atoms: 37078

Projects: 13787
stats credit: 1211
timeout: 18.5
deadline 40.5
k-factor v=0.75
number of atoms: 37074