## 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
✦ LIBER ✦
Use of Molecular Dynamics in the Design and Structure Determination of a Photoinducible β-Hairpin
✍ Scribed by Kräutler, Vincent; Aemissegger, Andreas; Hünenberger, Philippe H.; Hilvert, Donald; Hansson, Tomas; van Gunsteren, Wilfred F.
- Book ID
- 126158645
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 461 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0002-7863
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## Abstract Designed octapeptides Boc‐Leu‐Val‐Val‐Aib‐^D^Xxx‐Leu‐Val‐Val‐OMe (^D^Xxx = ^D^Ala, 3a;^D^Val, 3c and ^D^Pro, 5a) and Boc‐Leu‐Phe‐Val‐Aib‐^D^Ala‐Leu‐Phe‐Val‐OMe (3b) have been investigated to construct models of a stable type I′ β‐turn nucleated hairpin and to generate systems for invest