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

Arkin H.

PHYSICAL REVIEW E, cilt.80, sa.4, 2009 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80 Sayı: 4
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1103/physreve.80.041910
  • Dergi Adı: PHYSICAL REVIEW E
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Anahtar Kelimeler: adsorption, Lennard-Jones potential, Monte Carlo methods, nanotubes, polymers, BINDING-SPECIFICITY, PROTEIN, COOPERATIVITY
  • Ankara Üniversitesi Adresli: Evet

Özet

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.