Eur. Phys. J. B 30, 577-580 (2002)
https://doi.org/10.1140/epjb/e2002-00416-2

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

Department of Physics, Hacettepe University, Beytepe 06532, Ankara, Turkey

Corresponding author: ^a tcelik@hacettepe.edu.tr

Received: 23 July 2002
Revised: 18 September 2002
Published online: 31 December 2002

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.