Molecular dynamics shows complex interplay and long-range effects of post-translational modifications in yeast protein interactions

This data set contains i. input topologies and coordinates for 179 non-modified and post-translationally modified (174 in normal and 87 in stress conditions) yeast protein complexes, ii. scripts and parameters for performing molecular dynamics simulations and binding energy calculation with per-residue decomposition, and iii. trajectory snapshots of solvent stripped protein complexes, which can be visualized using the corresponding topology files.