Project 14323 (GPU, OpenMM21) to FAH
Posted: Sat Mar 07, 2020 5:51 pm
Releasing new OpenMM21 projects to FAH
These simulations are designed to test our understanding of the folding mechanism of alpha-helical hairpins. We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics and kinetics of these proteins, to learn how we might better use molecular simulation methods to design effective protein binder scaffolds, for use as "affibody" cancer therapeutics, for example.
project number: 14323
stats credit: 36000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 17105
These simulations are designed to test our understanding of the folding mechanism of alpha-helical hairpins. We are trying to study how disulfide cross-linkers and sequence variants affect the folding thermodynamics and kinetics of these proteins, to learn how we might better use molecular simulation methods to design effective protein binder scaffolds, for use as "affibody" cancer therapeutics, for example.
project number: 14323
stats credit: 36000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 17105