Peptide Folding: When simulation meets experiment

Daura, Xavier, Gadermann, Karl, Jaun, Bernhard, Seebach, Dieter, van Gunsteren, Wilfred F. and Mark, Alan E. (1999) Peptide Folding: When simulation meets experiment. Angewandte Chemie, 38 1-2: 236-240. doi:10.1002/(SICI)1521-3773(19990115)38:1/2<236::AID-ANIE236>3.0.CO;2-M

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Author Daura, Xavier
Gadermann, Karl
Jaun, Bernhard
Seebach, Dieter
van Gunsteren, Wilfred F.
Mark, Alan E.
Title Peptide Folding: When simulation meets experiment
Journal name Angewandte Chemie   Check publisher's open access policy
ISSN 1433-7851
Publication date 1999-01-15
Sub-type Article (original research)
DOI 10.1002/(SICI)1521-3773(19990115)38:1/2<236::AID-ANIE236>3.0.CO;2-M
Volume 38
Issue 1-2
Start page 236
End page 240
Total pages 5
Place of publication Weinheim, Germany
Publisher Wiley
Language eng
Formatted abstract
Accurate reproduction of the mechanism of peptide folding in solution and conformational preferences as a function of amino acid sequence is possible with atomic level dynamics simulations. For example, the simulations correctly predict a left-handed 31-helical fold for the β-heptapeptide 1 (the molecular model is shown in the picture) and a right-handed helical fold for the β-hexapeptide 2, as was confirmed by NMR spectroscopy.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemistry and Molecular Biosciences
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Citation counts: TR Web of Science Citation Count  Cited 651 times in Thomson Reuters Web of Science Article | Citations
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Created: Fri, 01 Apr 2011, 11:35:08 EST by Professor Alan Mark on behalf of School of Chemistry & Molecular Biosciences