Conformational properties of surfactant-like peptides with variable glycine tails

Arkin H.

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, cilt.389, sa.2, ss.265-272, 2010 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 389 Sayı: 2
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1016/j.physa.2009.09.042
  • Dergi Adı: PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.265-272
  • Anahtar Kelimeler: Molecular modeling, Surfactant-like peptides, Multicanonical simulation, Ramachandran plot, HYDROGEN-BOND INTERACTIONS, INTERMOLECULAR POTENTIALS, NONBONDED INTERACTIONS, EMPIRICAL POTENTIALS, ENERGY PARAMETERS, CRYSTAL DATA, POLYPEPTIDES, SIMULATION
  • Ankara Üniversitesi Adresli: Evet

Özet

The three-dimensional structures of surfactant-like peptides containing 4-10 glycines as the components of the hydrophobic tails and aspartic acids as the hydrophilic heads (G(4)D(2), G(6)D(2), G(8)D(2), G(10)D(2)) are investigated by using the multicanonical simulation procedure. The thermodynamically most stable low energy structures of the sequences are determined. Ramachandran plots are prepared and analyzed to predict the secondary structure motifs of the molecules. (C) 2009 Elsevier B.V. All rights reserved.