Conformational properties of surfactant-like peptides with variable glycine tails

Arkin H.

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, vol.389, no.2, pp.265-272, 2010 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 389 Issue: 2
  • Publication Date: 2010
  • Doi Number: 10.1016/j.physa.2009.09.042
  • Journal Name: PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.265-272
  • Keywords: 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 University Affiliated: Yes

Abstract

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.