Structure of the Energy Landscape of Short Peptides

Physics – Condensed Matter – Statistical Mechanics

Scientific paper

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17 pages, 4 figures

Scientific paper

10.1142/S0129183103004267

We have simulated, as a showcase, the pentapeptide Met-enkephalin (Tyr-Gly-Gly-Phe-Met) to visualize the energy landscape and investigate the conformational coverage by the multicanonical method. We have 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 (GEM).

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