p8611, p8612, p8614 and p8615 are being released to FAH

[vvoelz]

After being on advanced for quite a while (!), projects p8611, p8612, p8614 and p8615 are being released to FAH.

The projects simulate a peptide hairpin mimic of a bacterial protein called LapD. LapD is important for biofilm formation, a mechanism by which some bacteria resist antibiotics. A good hairpin mimic could act to disrupt biofilm formation and help treat bacterial infections. We are interested in modeling the folding and binding properties of this molecule, in hopes of designing structures that are pre-organized in solution and can bind with high affinity.

Project: 8611
stats credit: 463
timeout: 7.1
deadline 15.5
k-factor v=0.75
number of atoms: 15122

Project: 8612
stats credit: 237
timeout: 3,6
deadline 7.9
k-factor v=0.75
number of atoms: 7851

Project: 8614
stats credit: 360
timeout: 5.5
deadline 12.0
k-factor v=0.75
number of atoms: 12165

Project: 8615
stats credit: 368
timeout: 5.6
deadline 12.3
k-factor v=0.75
number of atoms: 12250