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Project 14191 (GPU, OpenMM21) to BETA by sizhang » Mon Aug 26, 2019 11:20 pm
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: 14191
stats credit: 38000
timeout: 5
deadlin: 7
k-factor =0.75
number of atoms: 13839
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发表于 2019-8-27 19:41:23