Dataset for computational study of the ALS mutation G335D modulating the dimerization of TDP-43 amyloidogenic core peptide

This dataset consist the following contents: 1. The data used to generate MD/RSET2 trajectories for WT and G335D systems, including initial structures, parameter files and topology files; 2. The final structures and representative conformations of intermediates for WT and G335D systems in MD simulations; 3. Representative conformations of the top eight clusters for WT and G335D systems in REST2 simulations.