Simonovsky, Eyal; Kozlowski, Henryk; Miller, Yifat
Termini capping of metal-poly-His peptide complexes induces the formation of alpha-helix
RSC ADVANCES, 5:104551-104555, 2015

An ensemble of structures of metal-hexa-histidine-tag capped and uncapped peptides has been studied using molecular dynamics simulations. The metal-binding peptides are polymorphic for both capped and uncapped peptides. The capping of the peptide termini promotes alpha-helical conformations that are induced by the metal binding sites.


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