In this study, we describe the self-assembling properties of cyclic peptides containing γ-
amino acids in lipid bilayers to form transmembrane nanotubes. The resulting ion channel …

The interaction of alkaline earth metal cations including Be2+, Mg2+, Ca2+, Sr2+ and Ba2+
with cyclic peptides containing 3 or 4 (S) alanine molecules (CyAla3 and CyAla4) was …

The building blocks of a promising class of peptide nanotubes composed of alternating D-α-
amino acids and (1 R, 3 S)-3-aminocyclohexane (or cyclopentane) carboxylic acid (D-γ-Ach …

A density functional theory based on interaction of alkali metal cations (Li+, Na+, K+, Rb+
and Cs+) with cyclic peptides constructed from 3 or 4 alanine molecule (CyAla3 and …

We studied the complexation of cyclo (L-Pro) 3 with alkali metal cations (Li+, Na+, K+, Rb+
and Cs+) in the gas phase using density functional theory (DFT) calculations. The …

The theoretical study of ion affinity of cyclic peptides containing l-proline (Cyclo (l-Pro) 3 and
Cyclo (l-Pro) 4) with alkali earth metal ions has been carried out using the DFT methods. The …

The quantum mechanics/molecular mechanics ONIOM calculations have been performed to
study the structure and metal-ion binding properties of all-trans cyclo [1R-3S-γ-Acc-Gly] 3 …

Molecular dynamic (MD) simulations have been performed to study the behaviors of ten
kinds of cyclo-hexa-peptides (CHPs) composed of amino acids with the diverse hydrophilic …

Density functional theory (DFT) was used to study the interaction of alkali metal cations (Li+,
Na+ and K+) with cyclic peptides constructed from silk type macrocycles (Silk1, Silk2, Silk3 …

Under the method of density functional theory, the geometry structures, values of energy and
population analysis of the combo of crown tetraalanylpeptide (C4-Ala) with ions (Xn) are …