Data Availability for "Exploring Reaction Mechanisms for GTP Hydrolysis in RhoA Protein. The Leading Role Glutamine Tautomerism"
In the following GitHub repository, the PDB files for the structures corresponding to the rate-limiting step of each mechanism are available. The files are named FigureX-TSX.pdb, aligned with the figure references in the paper. Additionally, the structures of reactants and products for the amide-imide mechanism with phosphate-assisted regeneration, computed at the B3LYP level, are provided.