Projects 12113,12114 on FAH (GPU, OpenMM22)
Posted: Sun Oct 22, 2023 9:13 pm
Projects 12113,12114 on FAH!
Short peptides are considered ideal therapeutics because of their small size and bioactivity, however they are prone to enzyme degradation. Protein Brush Polymers allow peptides to bind to a hydrophobic backbone in a polymeric scheme which enhances the penetration of these peptides in cell/targets.
In this project we simulate Trpzip2, which is a beta-hairpin peptide, for investigation of beta-sheet secondary structure effect on the polymer conformation.
More details here -
https://stats.foldingathome.org/project?p=12113
Stats (Common):
<timeout v="1"/>
<deadline v="2"/>
Stats (Project wise)
12113:
<natoms>56609</natoms>
<stats-credit v="46986"/>
12114:
<natoms>19219</natoms>
<stats-credit v="10403"/>
Short peptides are considered ideal therapeutics because of their small size and bioactivity, however they are prone to enzyme degradation. Protein Brush Polymers allow peptides to bind to a hydrophobic backbone in a polymeric scheme which enhances the penetration of these peptides in cell/targets.
In this project we simulate Trpzip2, which is a beta-hairpin peptide, for investigation of beta-sheet secondary structure effect on the polymer conformation.
More details here -
https://stats.foldingathome.org/project?p=12113
Stats (Common):
<timeout v="1"/>
<deadline v="2"/>
Stats (Project wise)
12113:
<natoms>56609</natoms>
<stats-credit v="46986"/>
12114:
<natoms>19219</natoms>
<stats-credit v="10403"/>