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

Lixin Zhan·Jeff Z Y Chen·Wing-Ki Liu
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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 omega fixed at 180 degrees. 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 gamma-turn centered at residue Gly3 and a beta-turn at residues Gly3-Phe4. However, minor differences between the structures also exist.

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Computer SimulationEnkephalin, MethionineModels, MolecularPeptidesProtein Structure, SecondaryThermodynamicsJournal ArticleResearch Support, Non-U.S. Gov't

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Lixin Zhan, Jeff Z Y Chen, Wing-Ki Liu. 2006-07-07. Conformational study of Met-enkephalin based on the ECEPP force fields.. https://doi.org/10.1529/biophysj.106.083899

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