Machine learning based methods to generate conformational ensembles of disordered proteins (len18, point mutation)

<p>data is organized by bin number (0-9) and mutation location (4, 8, 12). (Note: in the manuscript, we used the nomenclature bins 1-10 and mutation&nbsp;locations 5,8,13. We simply used a 0-index convention when naming our folders). All data is in rep_1,&nbsp;which contains the trajectory (xtc) file, Rg information (in the file Rg.out), pairwise distance information (in the file traj_analysis_data/pairwise_distance_matrix.csv) and the bspline coefficients (in the file bspline_info/xyz_coeff.npy). However, for bin_num=9/mutation_loc=12, the data used is in rep_2, not rep_1.&nbsp;</p>