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Peptide folding and aggregation studied using a simplified atomic model

Irbäck, Anders LU (2005) In Journal of Physics: Condensed Matter 17(18). p.1553-1564
Abstract
Using an atomic model with a simplified-sequence-based potential, the folding properties of several different peptides are studied. Both alpha-helical (Trp cage, F-s) and beta-sheet(GB1p, GB1m2, GB1m3, Betanova, LLM) peptides are considered. The model is able to fold these different peptides for one and the same choice of;parameters, and the melting behaviour of the peptides (folded population against temperature) is in very good agreement with experimental data. Furthermore, using the same model with unchanged parameters, the aggregation behaviour of a fibril-forming fragment of the Alzheimer's A beta peptide is studied, with very promising results.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physics: Condensed Matter
volume
17
issue
18
pages
1553 - 1564
publisher
IOP Publishing
external identifiers
  • wos:000229658500013
  • scopus:24144445368
ISSN
1361-648X
DOI
10.1088/0953-8984/17/18/012
language
English
LU publication?
yes
id
d469dc25-a084-4fcb-a065-e47ca75c662d (old id 237392)
date added to LUP
2007-08-22 10:41:45
date last changed
2017-01-01 07:12:13
@article{d469dc25-a084-4fcb-a065-e47ca75c662d,
  abstract     = {Using an atomic model with a simplified-sequence-based potential, the folding properties of several different peptides are studied. Both alpha-helical (Trp cage, F-s) and beta-sheet(GB1p, GB1m2, GB1m3, Betanova, LLM) peptides are considered. The model is able to fold these different peptides for one and the same choice of;parameters, and the melting behaviour of the peptides (folded population against temperature) is in very good agreement with experimental data. Furthermore, using the same model with unchanged parameters, the aggregation behaviour of a fibril-forming fragment of the Alzheimer's A beta peptide is studied, with very promising results.},
  author       = {Irbäck, Anders},
  issn         = {1361-648X},
  language     = {eng},
  number       = {18},
  pages        = {1553--1564},
  publisher    = {IOP Publishing},
  series       = {Journal of Physics: Condensed Matter},
  title        = {Peptide folding and aggregation studied using a simplified atomic model},
  url          = {http://dx.doi.org/10.1088/0953-8984/17/18/012},
  volume       = {17},
  year         = {2005},
}