The ligands for the hexa-coordinate metal at A are the same as ... Rubrerythrin appears to be able to change the ligand arrangements in one of its binding sites to bind different kinds of metals ...

Cooperative binding effects pervade biology. Only a few basic principles are at play, but in different biological contexts cooperativity appears in distinct guises to achieve different ends.

These modules allow the ProteinReDiff framework to capture intricate protein–ligand interactions, improve the fidelity of binding affinity predictions and enable more precise redesigns of ligand ...

The tool, called AshPhos, is a ligand, or molecule ... the first author of the study, works by binding to a metal atom, transforming it into a catalyst. This catalyst is essential for the reaction ...