title: Switching in of Ac-(Ala)10-NHMe at a solid surface.
abstract: Using molecular simulation, we show how Ac-(Ala)(10)-NHMe adsorbed on a solid surface switches between three conformations at distinct surface energies. The first switch is from an alpha-helix to a 3.1(10)-helix. The second involves further stretching to a 2(7)-helix. This switching has several potential applications including memory in molecular computers to motility elements in nanotechnology, and could be relevant to biological activity of proteins near solid surfaces (e.g., nano and aerosol particles) and disease processes induced by such interactions.
authors.affiliation: Institute for Materials and Processes, University of Edinburgh, Edinburgh, Scotland, United Kingdom. m.biggs@ed.ac.uk
authors.forename: Mark J
authors.initials: MJ
authors.lastname: Biggs
authors.forename: Milan
authors.initials: M
authors.lastname: Mijajlovic
mesh_terms: D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry*; D009842:Oligopeptides / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D009842:Oligopeptides; C534040:acetyl-decaalanine N-methylamide