Structure of energy landscape of short peptides


Arkin H., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.14, no.1, pp.113-120, 2003 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 14 Issue: 1
  • Publication Date: 2003
  • Doi Number: 10.1142/s0129183103004267
  • Title of Journal : INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Page Numbers: pp.113-120

Abstract

We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and to investigate the conformational coverage by the multicanonical method. We obtained a three-dimensional topographic picture of the whole energy landscape by plotting the histogram with respect to energy (temperature) and the order parameter, which gives the degree of resemblance of any created conformation with the global energy minimum.