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Peptide Folding: When Simulation Meets Experiment

1999; Wiley; Volume: 38; Issue: 1-2 Linguagem: Inglês

10.1002/(sici)1521-3773(19990115)38

1521-3773

Xavier Daura, Karl Gademann, Bernhard Jaun, Dieter Seebàch, Wilfred F. van Gunsteren, Alan E. Mark,

Machine Learning in Bioinformatics

Angewandte Chemie International EditionVolume 38, Issue 1-2 p. 236-240 Communication Peptide Folding: When Simulation Meets Experiment Xavier Daura, Xavier Daura Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this authorKarl Gademann, Karl Gademann Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorBernhard Jaun, Bernhard Jaun Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorDieter Seebach, Dieter Seebach Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorWilfred F. van Gunsteren, Wilfred F. van Gunsteren wfvgn@igc.phys.chem.ethz.ch Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this authorAlan E. Mark, Alan E. Mark Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this author Xavier Daura, Xavier Daura Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this authorKarl Gademann, Karl Gademann Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorBernhard Jaun, Bernhard Jaun Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorDieter Seebach, Dieter Seebach Laboratorium für Organische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland)Search for more papers by this authorWilfred F. van Gunsteren, Wilfred F. van Gunsteren wfvgn@igc.phys.chem.ethz.ch Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this authorAlan E. Mark, Alan E. Mark Laboratorium für Physikalische Chemie, ETH Zürich, ETH-Zentrum, CH-8092 Zürich (Switzerland), Fax: (+41) 1-632-1039Search for more papers by this author First published: 04 February 2004 https://doi.org/10.1002/(SICI)1521-3773(19990115)38:1/2 3.0.CO;2-MCitations: 1,329AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat 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. Citing Literature Volume38, Issue1-2January 15, 1999Pages 236-240 RelatedInformation