Residue length and solvation model dependency of elastinlike polypeptides

Bilsel M., Arkin H.

PHYSICAL REVIEW E, cilt.81, sa.5, 2010 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 81 Sayı: 5
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1103/physreve.81.051906
  • Dergi Adı: PHYSICAL REVIEW E
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Ankara Üniversitesi Adresli: Evet

Özet

We have performed exhaustive multicanonical Monte Carlo simulations of elastinlike polypeptides with a chain including amino acids (valine-proline-glycine-valine-glycine)(n) or in short (VPGVG)(n), where n changes from 1 to 4, in order to investigate the thermodynamic and structural properties. To predict the characteristic secondary structure motifs of the molecules, Ramachandran plots were prepared and analyzed as well. In these studies, we utilized a realistic model where the interactions between all types of atoms were taken into account. Effects of solvation were also simulated by using an implicit-solvent model with two commonly used solvation parameter sets and compared with the vacuum case.