title: Changes in the conformation of alpha-helical peptides adsorbed onto the carbon nanotube.
abstract: In this study a thorough investigation on the changes in the conformation of the alpha-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 alpha-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.
authors.affiliation: Chemical Laboratory, Central Leather Research Institute, (Council of Scientific and Industrial Research, India), Adyar, Chennai 600020, India.
authors.forename: V
authors.initials: V
authors.lastname: Subramanian
mesh_terms: D000327:Adsorption; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D037742:Nanotubes, Carbon / Q000737:chemistry* / Q000648:ultrastructure; D010455:Peptides / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation
chemical_list: D037742:Nanotubes, Carbon; D010455:Peptides