Structure of energy landscape of short peptides


Arkin H., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.14, ss.113-120, 2003 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 14 Konu: 1
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1142/s0129183103004267
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Sayfa Sayıları: ss.113-120

Özet

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.