The PDB already contains implicit information about conformational dynamics based on subtle differences in closely related structures

Summary

Experimental structural DBs already contain some implicit information about protein dynamics based on subtle differences between closely related proteins (1). This may explain why structure prediction methods learn some information about protein dynamics.

1.

Cui X, Ge L, Yang X, Li X, Hou D, Zhou X, et al. Exploring protein conformational ensembles using evolutionary conditional diffusion. openRxiv; 2026. Available from: https://doi.org/10.64898/2026.01.30.702768