Molecular Dynamics Simulation of Peptide Folding
✍ Scribed by Xavier Daura
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 152 KB
- Volume
- 116
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
## Abstract The structural properties of a 10‐residue and a 15‐residue peptide in aqueous solution were investigated by molecular dynamics simulation. The two designed peptides, SYINSDGTWT and SESYINSDGTWTVTE, had been studied previously by NMR at 278 K and the resulting model structures were class
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