Hairpin protein partitioning from the ER to Lipid Droplets involves major structural rearrangements

The project includes dataset from MD simulations and EPR measurements. Description of the MD simulation dataset:-Data type: MD simulations of UBXD8 peptide at varying depths/conformations in POPC bilayer, POPC/Triolein:Cholesteryl oleate monolayer, and in Bilayer-Lipid droplet setup. -Force fields: All-atom simulations were carried out using Charmm36 force field. The parameters for Triolein and Cholesteryl oleate are derived from Olarte et al., 2020 and were obtained from the corresponding authors of that publication. Coarse-grained simulations were carried out using Martini force field. -Simulation Package: All simulations were carried out using GROMACS 2021 simulation package.-File types: The uploaded files include structure files in PDB format, input parameter files (.mdp), topology (topol.top), and force field files. Description of the EPR dataset:- Data type: Experimental spectroscopic measurements, Easyspin simulation and analysis- Files are with filename extensions: DSC, DAT- Information on origin of the data:- EPR spectroscopic measurements with filename extensions DSC and DTA.- EPR spectroscopic simulation and analyses with filename extension m.- EPR simulations were generated using Easyspin version 5.2.36 and Matlab version 23.2.0.2428915.- X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with ER4123D cavity produced by Bruker.