CFTR related data

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We aim to make our data, which are associated to papers but not conveniently included into them, accessible and to go FAIR.

Farkas et al. Discovering the chloride pathway in the CFTR channel.
Cell Mol Life Sci. 2020 77:765-778 [PubMed]

The recently published, phosphorylated cryo-EM structures of full-length human and zebrafish CFTR do not show an open pathway for chloride. Therefore, we generated a conformational ensemble of the protein using molecular dynamics simulations with the zCFTR structure (PDBID: 5W81), identified open conformations by channel detecting algorithms, and employed metadynamics simulations and network analysis to describe the mechanism of function.

Files with detailed configuration parameters of simulations and calculations can be downloaded from here.