Monovalent cation-promoted ordering of a glycine-rich cyclic peptide

Theoretical study of microhydrated cyclo(L-pro)4-alkali cation complexes

“…Many experimental and theoretical studies have investigated the coordination chemistry of cyclic peptides [9][10][11][12][13][14]. From the overview of the literature results that majority of theoretical studies on cyclic peptide-cation complexes have been performed in the gas phase without the presence water molecules [12,14,[15][16][17], whereas all biological phenomena occur in aqueous environments and water molecules play an essential role by moderating electrostatic forces [18,19].…”