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Furthermore, the maximum area under the ROC curve (AUC) was 0.97, which was obtained by the GBHCT model combined with the IE method, indicating that this method has the best performance. The largest improvement occurs in the PB method, with a change in the AUC of 0.32. The modification of the energy is more obvious for protein-protein interactions than for protein-ligand interactions. This study indicates the effectiveness of the IE method in successfully recognizing the native structure, which is critical in rational drug design.Ferro
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