TRPP Ion Channels Function in the π-Conformation Rather Than the α-Conformation

This dataset contains representative molecular dynamics trajectories supporting the paper "TRPP Ion Channels Function in the π-Conformation Rather Than the α-Conformation" by Chenfeng Zhang, Wojciech Kopec and Julien Michel. Starting structures, topologies, force-field parameters, GROMACS and PLUMED input files and analysis notebooks are available at https://github.com/michellab/PKD2_Function_In_Pi. System and simulation names follow the folders of that repository and Supplementary Table S2 of the paper.