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RISTheoretical Design of a New Generation of the Cyclic Lipopeptide Nanotubes
In this article, cyclic peptide (CP) with lipid substitutions were theoretically designed. Dynamical behavior of the cyclic peptide nanotube (CPNT) without lipid substitutions in the solution, water and chloroform, during the 50 ns molecular dynamic...
THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS
The cyclic peptides constructed of four sequences of glycine (CP) has been employed for selective complexation with Be2+, Mg2+, Ca2+, Sr2+ and Ba2+ metal ions. Obtained data, from the density
functional theory, showed that CP has the most...
DFT investigation and molecular dynamic simulation on the selectivecomplexation of cis-cyclic nanopeptides with alkaline earth metalions
Three types of the cyclic peptides constructed of four sequences of glycine
(CP1) and alanine (CP2) and two sequences of glycine-valine molecules (CP3)
have been employed for selective complexation with Be2+, Mg2+, Ca2+, Sr2+ and...
Glucose Derivatives Substitution and Cyclic peptide Diameter Effects on the Stability of the Self-Assembled Cyclic Peptide Nanotubes; a Joint QM/MD Study
Dynamical behavior and the stability of eighteen nanostructures composed of
cyclic peptide (CP) with the general structure of the cyclo(―CO―(CH2)n=4, 6,
10―CO―Cyst―), in the gas phase, water and chloroform were investigated...
Hybrid Cyclic Nanopeptides as Ion Sensors, Molecular Approach
Theoretical studies, including quantum mechanics (QM) calculations were performed on two types of hybrid cyclic nanopeptides (HCNPs) which are constructed of tren-capped cryptand (HCNP1) and 1,3,5-triethylbenzene-capped ...