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Mechanical Unfolding of a β-Hairpin Using Molecular Dynamics

✍ Scribed by Bryant, Zev; Pande, Vijay S.; Rokhsar, Daniel S.

Book ID
118513790
Publisher
Biophysical Society
Year
2000
Tongue
English
Weight
447 KB
Volume
78
Category
Article
ISSN
0006-3495

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Molecular dynamics simulations of ␤-hairpin folding have been carried out with a solvent-referenced potential at 274 K. The model peptide V 4 D PGV 4 formed stable ␤-hairpin conformations and the ␤-hairpin ratio calculated by the DSSP algorithm was about 56% in the 50-ns simulation. Folding into ␤-h