Publication: Conformational study of Met-enkephalin based on the ECEPP force fields

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Title	Conformational study of Met-enkephalin based on the ECEPP force fields
Authors/Editors*	Lixin Zhan, Jeff Z. Y. Chen, Wing-Ki Liu
Where published*	Biophys. J.
How published*	Journal
Year*	2006
Volume	91
Number	-1
Pages	2399-2404
Publisher
Keywords	basin paving, protein folding, global optimization, met-enkephalin
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Abstract	We report a computational study of the small peptide Met-enkephalin based on the ECEPP/2 and ECEPP/3 force fields using the basin paving method. We have located a new global minimum when using the ECEPP/3 force field with peptide angles fixed at 180 degree. With this new result, we can conclude that the lowest energy configurations of Met-enkephalin predicted based on all four versions of ECEPP have a classic beta-turn centered at residue Gly3 and a gamma-turn at residues Gly3-Phe4. However, minor differences between the structures also exist.