It contains 4 raw trajectories corresponding to the two proteins Trp-cage (prod_trpcage_ATP0M_REMD_303K_a99SBdisp.xtc and prod_trpcage_ATP0M_REMD_303K_a99SBdisp.xtc) and Aβ40 (prod_trpcage_ATP0M_REMD_303K_a99SBdisp.xtc) proteins in absence and in presence of ATP (0.5 M). The replica exchange molecular dynamics trajectories corresponding to 303 K temperature have been included for each cases. The trajectory (.xtc) and topology (.tpr) files are labeled as "prod_protein-name_ATP-concentration_simulation_temperature_forcefield". The raw data employed in constructing each of the plots provided in manuscript are included in the respective zip files.The data corresponding to the experimental results are included in the associated zip file, named according to the specific figure referenced in the manuscript. Also some GROAMCS command lines are also provided in the respective data files. For any further inquiries or requests for additional data, please contact jmondal@tifrh.res.in.