The components of the graphlet degree vector, which describes the complexity of the wiring of a given atom, can be used in a multiple linear regression model to predict atomic displacement parameters in protein structures.

The crystal structures of different states of cyanase, i.e. native, cyanate-bound, bicarbonate-bound and reaction states, obtained using synchrotron X-rays and X-ray free-electron lasers, elucidate the reaction intermediates and molecular dynamics of the active site.

The explicit refinement of Ramachandran, rotamer and clash criteria at now-prevalent lower resolutions (2.5–4 Å) has made the current, traditional model validation at the Protein Data Bank nearly useless in this range, since quite poor structures can have perfect scores. Fortunately, new criteria and programs such as ISOLDE, CaBLAM and AlphaFold are coming to the rescue, are already very useful and should be extensible into an effective new community standard.