Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

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

Lixin Zhan1, Jeff Z Y Chen, Wing-Ki Liu

  • 1Department of Physics, University of Waterloo, Waterloo, Ontario, Canada. lzhan@sciborg.uwaterloo.ca

Biophysical Journal
|July 11, 2006
PubMed
Summary

A computational study of Met-enkephalin revealed a new global minimum structure using the ECEPP/3 force field. This finding refines our understanding of peptide configurations, highlighting conserved turns across force field versions.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

HTNet: A self-supervised heterogeneous triple network for multi-modal data.

Neural networks : the official journal of the International Neural Network Society·2026
Same author

Hierarchical ground-state crystals underlying Hertzian quasicrystals.

Nature communications·2025
Same author

Transitional patterns on a spherical surface: from scars to domain defects of mixed lattices.

Soft matter·2025
Same author

Phase-field model for quantitative analysis of droplet wetting.

Soft matter·2025
Same author

Unsupervised domain adaptation teacher-student network for retinal vessel segmentation via full-resolution refined model.

Scientific reports·2025
Same author

Competing Hexagonal and Square Lattices on a Spherical Surface.

Nano letters·2025

Area of Science:

  • Computational chemistry
  • Molecular modeling
  • Peptide structure analysis

Background:

  • Met-enkephalin is a small peptide with significant biological roles.
  • Understanding peptide conformational landscapes is crucial for drug design.
  • Previous studies utilized various versions of the ECEPP force field.

Purpose of the Study:

  • To computationally investigate the conformational space of Met-enkephalin.
  • To compare results obtained from ECEPP/2 and ECEPP/3 force fields.
  • To identify the global minimum energy structure of Met-enkephalin.

Main Methods:

  • Basin paving method for conformational searching.
  • Application of ECEPP/2 and ECEPP/3 force fields.
  • Fixing peptide angles omega at 180 degrees in ECEPP/3.

Related Experiment Videos

Main Results:

  • A new global minimum energy structure was identified using ECEPP/3 with fixed omega angles.
  • All four ECEPP versions predict structures with a gamma-turn at Gly3 and a beta-turn at Gly3-Phe4.
  • Minor structural variations exist between the predicted low-energy configurations.

Conclusions:

  • The ECEPP/3 force field, under specific conditions, reveals novel conformational insights for Met-enkephalin.
  • Conserved structural motifs (gamma-turn and beta-turn) are robust across different ECEPP versions.
  • Further refinement of force fields can lead to more accurate peptide structure predictions.