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Coupled folding-binding versus docking: A lattice model study

Gupta, N and Irbäck, Anders LU (2004) In Journal of Chemical Physics 120(8). p.3983-3989
Abstract
Using a simple hydrophobic/polar protein model, we perform a Monte Carlo study of the thermodynamics and kinetics of binding to a target structure for two closely related sequences, one of which has a unique folded state while the other is unstructured. We obtain significant differences in their binding behavior. The stable sequence has rigid docking as its preferred binding mode, while the unstructured chain tends to first attach to the target and then fold. The free-energy profiles associated with these two binding modes are compared. (C) 2004 American Institute of Physics.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
120
issue
8
pages
3983 - 3989
publisher
American Institute of Physics
external identifiers
  • pmid:15268563
  • wos:000189139700051
  • scopus:12144289240
ISSN
0021-9606
DOI
10.1063/1.1643900
language
English
LU publication?
yes
id
3f001ed0-981b-49df-8aec-c4ee0c09af91 (old id 281233)
date added to LUP
2007-10-26 14:15:37
date last changed
2017-11-26 03:17:14
@article{3f001ed0-981b-49df-8aec-c4ee0c09af91,
  abstract     = {Using a simple hydrophobic/polar protein model, we perform a Monte Carlo study of the thermodynamics and kinetics of binding to a target structure for two closely related sequences, one of which has a unique folded state while the other is unstructured. We obtain significant differences in their binding behavior. The stable sequence has rigid docking as its preferred binding mode, while the unstructured chain tends to first attach to the target and then fold. The free-energy profiles associated with these two binding modes are compared. (C) 2004 American Institute of Physics.},
  author       = {Gupta, N and Irbäck, Anders},
  issn         = {0021-9606},
  language     = {eng},
  number       = {8},
  pages        = {3983--3989},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Coupled folding-binding versus docking: A lattice model study},
  url          = {http://dx.doi.org/10.1063/1.1643900},
  volume       = {120},
  year         = {2004},
}