Mar 16, 2012

Folding models of mini-protein FSD-1

The Journal of Physical Chemistry. B
In-Ho LeeJooyoung Lee

Abstract

We have carried out all-atom action-derived molecular dynamics (ADMD) folding simulations of the full-size FSD-1. FSD-1 is a designed mini-protein of 28 residues containing both α and β secondary structure elements. Multiple folding pathways are found for FSD-1, which is consistent with existing computational studies. Hydrophobic collapse is observed first, and then subsequent folding events proceeds by forming either α-helix or β-hairpin. Concurrent formation of the full tertiary structure and the secondary structure elements of α-helix and β-hairpin is observed. The folding pathway of FSD-1 elucidated by ADMD simulations does not follow the scenario of the framework model. ADMD simulations provide significant insights for the general mechanisms of protein folding and conformational changes.

  • References5
  • Citations6

Citations

Mentioned in this Paper

Molecular Dynamics
Biochemical Pathway
Molecular Helix
Helix (Snails)
Myoclonus
FSD-1 protein, synthetic
DNA Helix Destabilizing Proteins
Protein Folding, Globular
Helix of Ear
Transcription Factor

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