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Molecular Dynamics Simulations of Three-Strand β-Sheet Folding

✍ Scribed by Wang, Hongwu; Sung, Shen-Shu


Book ID
126413724
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
175 KB
Volume
122
Category
Article
ISSN
0002-7863

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Molecular dynamics simulations of β-hair
✍ Hongwu Wang; Judith Varady; Lily Ng; Shen-Shu Sung 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 252 KB 👁 1 views

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