PAE weakly correlates with Ab-Ag binding

Summary

The PAE of AlphaFold2 weakly correlates with the binding affinity of Antibodies to their antigens (1). It is more effective at discriminating between positive and negative Trastuzumab binders.

Figures

Figure 4D from (1)

See also

• Protein structure prediction and design confidence metrics do not correlate with binding affinity

1.

Jin W, Chen X, Vetticaden A, Sarzikova S, Raychowdhury R, Uhler C, et al. DSMBind: SE(3) denoising score matching for unsupervised binding energy prediction and nanobody design. openRxiv; 2023. Available from: https://doi.org/10.1101/2023.12.10.570461