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.
Arkin
Handan
H
Faculty of Engineering, Department of Physics Engineering Tandoğan, Ankara University, Ankara 06100, Turkey. handan.olgar@eng.ankara.edu.tr
D000327:Adsorption; D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D008968:Molecular Conformation; D009010:Monte Carlo Method; D043942:Nanotubes / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*; D012399:Rotation; D013696:Temperature; D013816:Thermodynamics
D011108:Polymers