Adsorption of a hydrophobic-polar-model heteropolymer in an attractive nanotube.

The adsorption of an off-lattice hydrophobic-polar-model heteropolymer in an attractive hydrophobic nanotube is presented by means of a multicanonical Monte Carlo simulation. In the model, the Lennard-Jones potential is assumed as an interaction potential between the effective monomers and the nanotube wall. The global minimum-energy configurations and the values of radius of gyration and end-to-end distance of these configurations are compared for both pure hydrophobic and polar heteropolymer models and with interaction term included model. The low-energy conformations for heteropolymers are extended when they interact with the nanotube which the conformational extensions are detected with some structural parameters.