Comparison of the ELP and multicanonical methods in simulation of the heptapeptide deltorphin
Department of Physics, Hacettepe University, Beytepe 06532,
Corresponding author: a email@example.com
Revised: 18 September 2002
Published online: 31 December 2002
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.
PACS: 02.70.-c – Computational techniques / 05.50.+q – Lattice theory and statistics (Ising, Potts, etc.) / 82.20.Wt – Computational modeling; simulation
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2002