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Comparison of the ELP and multicanonical methods in simulation of the heptapeptide deltorphin

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Abstract:

To investigate the performance of the energy landscape paving (ELP) procedure for peptides, we apply it here to deltorphin, a linear heptapeptide with bulky side chains (H-Tyr1-D-Met2-Phe3-His4-Leu5-Met6-Asp7-NH2) and compare the results with the Multicanonical method (MUCA) in regard of finding the low-energy structures. Deltorphin is modeled in vacuum by the potential energy function ECEPP.

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Authors and Affiliations

  1. Department of Physics, Hacettepe University, Beytepe 06532, Ankara, Turkey, , , , , , TR

    H. Arkın & T. Çelik

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  1. H. Arkın
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  2. T. Çelik
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Received 23 July 2002 / Received in final form 18 September 2002 Published online 31 December 2002

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Arkın, H., Çelik, T. Comparison of the ELP and multicanonical methods in simulation of the heptapeptide deltorphin. Eur. Phys. J. B 30, 577–580 (2002). https://doi.org/10.1140/epjb/e2002-00416-2

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  • DOI: https://doi.org/10.1140/epjb/e2002-00416-2

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