Peptide folding: when simulation meets experiment

Mol. dynamics simulation studies on the folding of beta-peptides H-beta3-HVal-beta3-HAla-beta3-HLeu-(S,S)-beta3-HAla(alphaMe)-beta3-HVal-beta3-HAla-beta3-HLeu-OH and H-beta2-HVal-beta3-HAla-beta2-HLeu-beta3-HVal-beta2-HAla-beta3-HLeu-OH were carried out. Despite the small differences in sequence between the two peptides studied, the simulations correctly predict a left-handed 31-helical fold for the beta-heptapeptide and a right-handed helical fold for the beta-hexapeptide.


Published in:
Angewandte Chemie, International Edition, 38, 1/2, 236-240
Year:
1999
Keywords:
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Note: The status of this file is: EPFL only


 Record created 2006-11-22, last modified 2018-03-17

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