Changes in the conformation of α-helical peptides adsorbed onto the carbon nanotube

Abstract

In this study a thorough investigation on the changes in the conformation of the α-helical peptide on interaction with CNTs has been attempted using classical molecular dynamics simulation. The primary objective of this investigation is to understand the changes in the conformation of the longer α-helical peptides on interaction with CNTs. The results show that the helix propensity of the amino acids present in the sequence has a direct influence on the mode of so that the regions which are composed of the amino acids having low helix propensity would undergo unfolding in the presence of CNT.