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This repository contains raw data and code related to "Crosstalk between regulatory elements in the disordered TRPV4 N-terminus modulates lipid-dependent channel activity" by Goretzki et al. Included are molecular dynamics parameter files, initial structures after system equilibration, production trajectories, and final structures of simulations of: 1. coarse-grained IDRs on membrane, and force and position data for restrained c-termini. Trajectories are subsampled with one frame every 50 ns. 2. The tetrameric TRPV4 core in a POPC in atomistic resolution. Trajectories are sampled with one frame every 1 ns. 3. The isolated ARD in solution in atomistic resolution. Trajectories are subsampled with one frame every 1 ns. Contact information: Name: Stefan L. Schaefer Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany Email: stefan.schaefer@biophys.mpg.de Name: Ainara Claveras Cabezudo Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany Email: ainara.claveras@biophys.mpg.de
This work was supported by the Max Planck Society and the Collaborative Research Center 1507 funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation). We also thank the Max Planck Computing and Data Facility (MPCDF) for computational resources.
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