Identifying the protein folding nucleus using molecular dynamics
Statistical Mechanics
2009-09-25 v2 q-bio
Abstract
Molecular dynamics simulations of folding in an off-lattice protein model reveal a nucleation scenario, in which a few well-defined contacts are formed with high probability in the transition state ensemble of conformations. Their appearance determines folding cooperativity and drives the model protein into its folded conformation.
Cite
@article{arxiv.cond-mat/9812284,
title = {Identifying the protein folding nucleus using molecular dynamics},
author = {Nikolay V. Dokholyan and Sergey V. Buldyrev and H. Eugene Stanley and Eugene I. Shakhnovich},
journal= {arXiv preprint arXiv:cond-mat/9812284},
year = {2009}
}
Comments
6 pages including 7 figures