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Folding thermodynamics of three beta-sheet peptides: A model study

Irbäck, Anders LU and Sjunnesson, Fredrik LU (2004) In Proteins 56(1). p.110-116
Abstract
We study the folding thermodynamics of a beta-hairpin and two three-stranded beta-sheet peptides using a simplified sequence-based all-atom model, in which folding is driven mainly by backbone hydrogen bonding and effective hydrophobic attraction. The native populations obtained for these three sequences are in good. agreement with experimental data. We also show that the apparent native population depends on which observable is studied; the hydrophobicity energy and the number of native hydrogen bonds give different results. The magnitude of this dependence matches well with the results obtained in two different experiments on the beta-hairpin. (C) 2004 Wiley-Liss, Inc.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Monte Carlo simulation, beta-hairpin, protein folding, three-stranded beta-sheet, all-atom, model
in
Proteins
volume
56
issue
1
pages
110 - 116
publisher
John Wiley & Sons
external identifiers
  • wos:000222015500011
  • scopus:2642586516
ISSN
0887-3585
DOI
10.1002/prot.20157
language
English
LU publication?
yes
id
689df431-ef68-4f6e-a1db-d30852da6826 (old id 275088)
date added to LUP
2007-10-23 09:36:38
date last changed
2017-08-20 04:18:24
@article{689df431-ef68-4f6e-a1db-d30852da6826,
  abstract     = {We study the folding thermodynamics of a beta-hairpin and two three-stranded beta-sheet peptides using a simplified sequence-based all-atom model, in which folding is driven mainly by backbone hydrogen bonding and effective hydrophobic attraction. The native populations obtained for these three sequences are in good. agreement with experimental data. We also show that the apparent native population depends on which observable is studied; the hydrophobicity energy and the number of native hydrogen bonds give different results. The magnitude of this dependence matches well with the results obtained in two different experiments on the beta-hairpin. (C) 2004 Wiley-Liss, Inc.},
  author       = {Irbäck, Anders and Sjunnesson, Fredrik},
  issn         = {0887-3585},
  keyword      = {Monte Carlo simulation,beta-hairpin,protein folding,three-stranded beta-sheet,all-atom,model},
  language     = {eng},
  number       = {1},
  pages        = {110--116},
  publisher    = {John Wiley & Sons},
  series       = {Proteins},
  title        = {Folding thermodynamics of three beta-sheet peptides: A model study},
  url          = {http://dx.doi.org/10.1002/prot.20157},
  volume       = {56},
  year         = {2004},
}