Structure of energy landscape of short peptides

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Arkin H., Celik T.

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


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.