Advanced

A New Two-State Polymer Folding Model and Its Application to alpha-Helical Polyalanine

Linse, Per LU ; Palencar, Peter and Bleha, Tomas (2011) In The Journal of Physical Chemistry Part B 115(39). p.11448-11454
Abstract
A new two-state polymer folding model is proposed, in which the folding of a stiff helical polymer is enabled by allowing for short sequences of coils connecting shorter and separated helices. The folding is driven by short-range attraction energy among stacked helices and is opposed by the free-energy cost of forming coils from helical monomers. Principal outcomes of the model are equilibrium distribution of the number of helices and their length in helical polymers. The proposed model is applied to a-helical polyalanine. The distribution of the number of alpha-helices as a function of number of alanine residues is fitted to the corresponding result from molecular dynamics simulation employing an all-atom potential model with very good... (More)
A new two-state polymer folding model is proposed, in which the folding of a stiff helical polymer is enabled by allowing for short sequences of coils connecting shorter and separated helices. The folding is driven by short-range attraction energy among stacked helices and is opposed by the free-energy cost of forming coils from helical monomers. Principal outcomes of the model are equilibrium distribution of the number of helices and their length in helical polymers. The proposed model is applied to a-helical polyalanine. The distribution of the number of alpha-helices as a function of number of alanine residues is fitted to the corresponding result from molecular dynamics simulation employing an all-atom potential model with very good agreement. The influence and significance of the fitting parameters and possible use of the two-state folding model are discussed. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
115
issue
39
pages
11448 - 11454
publisher
The American Chemical Society
external identifiers
  • wos:000295245400016
  • scopus:80053431291
ISSN
1520-5207
DOI
10.1021/jp2019395
language
English
LU publication?
yes
id
8b15520d-9ae0-493f-a2d2-06ad3d1cbeef (old id 2212698)
date added to LUP
2011-11-23 13:45:55
date last changed
2017-01-01 06:10:15
@article{8b15520d-9ae0-493f-a2d2-06ad3d1cbeef,
  abstract     = {A new two-state polymer folding model is proposed, in which the folding of a stiff helical polymer is enabled by allowing for short sequences of coils connecting shorter and separated helices. The folding is driven by short-range attraction energy among stacked helices and is opposed by the free-energy cost of forming coils from helical monomers. Principal outcomes of the model are equilibrium distribution of the number of helices and their length in helical polymers. The proposed model is applied to a-helical polyalanine. The distribution of the number of alpha-helices as a function of number of alanine residues is fitted to the corresponding result from molecular dynamics simulation employing an all-atom potential model with very good agreement. The influence and significance of the fitting parameters and possible use of the two-state folding model are discussed.},
  author       = {Linse, Per and Palencar, Peter and Bleha, Tomas},
  issn         = {1520-5207},
  language     = {eng},
  number       = {39},
  pages        = {11448--11454},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {A New Two-State Polymer Folding Model and Its Application to alpha-Helical Polyalanine},
  url          = {http://dx.doi.org/10.1021/jp2019395},
  volume       = {115},
  year         = {2011},
}