This batch of projects have been created by Vincent Voelz for the Folding@Home uniprocessor client, and are focussed on simulating peptide fragments which have been observed during experiments to form into Fs and C-terminal peptides.The projects build upon a previous paper published in 2005 by Eric Sorin, in which validation simulations were run of the Fs peptide in explicit (TIP3P) water. In these projects, additional forcefields are used which were not available at the time of Sorin's previous research effort, and similar simulations of the C-terminal hairpin of protein G are performed. These benchmarks are intended to help in the completion a larger test set of simulations in both explicit and implicit solvent, and will hopefully go a way towards finding optimal forcefield parameters for future simulations.
Fs peptide
Project 6328: (started from helix, ff96) worth 106 points, preferred deadline of 20 days, final deadline of 30 days
Project 6329: (started from coil, ff96) worth 104 points, preferred deadline of 20 days, final deadline of 30 days
Project 6329: (started from coil, ff96) worth 104 points, preferred deadline of 20 days, final deadline of 30 days
ProG hairpin
Project 6330: (started from native, ff96) worth 104 points, preferred deadline of 20 days, final deadline of 30 days
Project 6331: (started from coil, ff96) worth 104 points, preferred deadline of 20 days, final deadline of 30 days
Project 6331: (started from coil, ff96) worth 104 points, preferred deadline of 20 days, final deadline of 30 days
These projects are a continuation of the 6319-6326 series, which we previously reported on in this news. The WUs should take approximately one day to complete on modern systems.
KaySL
On: 04/26/10
