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RMSE distribution of thermodynamic properties (ΔG, ΔH, −TΔS) for four RMSD groups representing different similarity levels: (A) GEWL system (apo, PDB: 153L); (B) GEWL system (holo, PDB: 154L); (C) PLP system (apo, PDB: 1XXO); (D) PLP system (holo, PDB: 2AQ6).
