Project 14320 (GPU, OpenMM21) to FAH
Posted: Mon Jan 06, 2020 10:13 pm
Releasing new OpenMM21 projects to FAH
These simulations are designed to test our understanding 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: 14320
stats credit: 38000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 13231
These simulations are designed to test our understanding 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: 14320
stats credit: 38000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 13231