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. Author manuscript; available in PMC: 2024 Jun 30.
Published in final edited form as: J Chem Inf Model. 2024 Feb 20;64(5):1481–1485. doi: 10.1021/acs.jcim.3c02031

Figure 2:

Figure 2:

Performance in combination with the neural network potential (NNP) for each protein-ligand system studied. The calculated ΔΔG estimates are plotted against their corresponding experimental values. MAE and RMSE are in kcal/mol and τ is Kendall correlation.