Project 11408 moving to FAH

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Project 11408 moving to FAH

Postby SonyaHanson » Fri May 19, 2017 9:41 pm


# atoms: 26168 (mean over 85 RUNs, there is a slight variation)
credit: 9443
k-factor: 0.75
timeout: 7d
deadline: 10d

Mixed precision is used (GPUs without DP are excluded).

In this project we are interested in the conformational heterogeneity of the CypA protein as captured from crystallography and spectroscopic methods at various temperatures. These methods allow for the experimental determination of multiple states, and the molecular simulations on Folding@home will allow us to develop a better understanding of this conformational heterogeniety. This project aims to reach key insights about the heterogeneity of proteins and the significant role this plays in their activation.

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