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Sequence design in coarse-grained protein models

Irbäck, Anders LU (2000) In Progress of Theoretical Physics Supplement 138. p.273-281
Abstract

Designing amino acid sequences that are stable in a given target structure amounts to maximizing a conditional probability. A straightforward approach to accomplish this is a nested Monte Carlo where the conformation space is explored over and over again for different fixed sequences. In this paper we discuss an alternative Monte Carlo approach, multisequence design, where conformation and sequence degrees of freedom are simultaneously probed. The method is explored on hydrophobic/polar models. A statistical analysis of sequence correlations is also discussed. It is found that hydrophobic/polar model sequences and enzymes display hydrophobicity correlations that are qualitatively similar.

Please use this url to cite or link to this publication:
author
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
in
Progress of Theoretical Physics Supplement
volume
138
pages
9 pages
publisher
Oxford
external identifiers
  • scopus:0034337312
DOI
10.1143/PTPS.138.273
language
English
LU publication?
no
id
9d829fc8-41f4-4a71-bc6f-362a5d9eeb41
date added to LUP
2016-08-17 17:49:20
date last changed
2017-01-01 08:32:02
@inproceedings{9d829fc8-41f4-4a71-bc6f-362a5d9eeb41,
  abstract     = {<p>Designing amino acid sequences that are stable in a given target structure amounts to maximizing a conditional probability. A straightforward approach to accomplish this is a nested Monte Carlo where the conformation space is explored over and over again for different fixed sequences. In this paper we discuss an alternative Monte Carlo approach, multisequence design, where conformation and sequence degrees of freedom are simultaneously probed. The method is explored on hydrophobic/polar models. A statistical analysis of sequence correlations is also discussed. It is found that hydrophobic/polar model sequences and enzymes display hydrophobicity correlations that are qualitatively similar.</p>},
  author       = {Irbäck, Anders},
  booktitle    = {Progress of Theoretical Physics Supplement},
  language     = {eng},
  pages        = {273--281},
  publisher    = {Oxford},
  title        = {Sequence design in coarse-grained protein models},
  url          = {http://dx.doi.org/10.1143/PTPS.138.273},
  volume       = {138},
  year         = {2000},
}