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New (GRO A7) projects 14023-14026 to FAH

Posted: Mon Nov 27, 2017 8:11 pm
by yunhui
Releasing new A7 (GRO_A7) projects p14023-14026. They are pulling simulations of the enzyme Phenylalanine Hydroylase (PAH), mutations in which cause phenylketonuria (PKU), an inherited disease that affects about 1 in 12000. We are trying to understand the molecular mechanisms by which PAH senses phenylalanine to activate the enzyme. These are similar to project 8617 but pulling one ligand away from or back to the binding site.
Description here: http://fah-web.stanford.edu/cgi-bin/fah ... ned?p=8617

Projects: 14023
stats credit: 1543
timeout: 23.6
deadline 51.6
k-factor v=0.75
number of atoms: 47317

Projects: 14024
stats credit: 1543
timeout: 23.6
deadline 51.6
k-factor v=0.75
number of atoms: 47317

Projects: 14025
stats credit: 1183
timeout: 18.1
deadline 39.6
k-factor v=0.75
number of atoms: 36193

Projects: 14026
stats credit: 1183
timeout: 18.1
deadline 39.6
k-factor v=0.75
number of atoms: 36193