STRUCTURE OF ENERGY LANDSCAPE OF SHORT PEPTIDES

Handan Arkin and Tarik Çeli̇k ()
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Handan Arkin: Physics Department, Hacettepe University, Ankara, Turkey
Tarik Çeli̇k: Physics Department, Hacettepe University, Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2003, vol. 14, issue 01, 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.

Keywords: Energy landscape; conformational sampling; multicanonical simulation (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0129183103004267

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