Generalized-ensemble simulations of all-atom protein models

We review recent progress in generalized-ensemble simulations of proteins. Focusing on the formation of secondary structure, we show how these techniques can lead to a deeper understanding of the folding mechanism in proteins.

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Bibliographic Details
Published in:Physica A 2005-05, Vol.350 (1), p.28-37
Main Authors: Aleksenko, Vasyl, Kwak, Wooseop, Hansmann, Ulrich H.E.
Format: Article
Language:English
Subjects:
[formula omitted] transitions
Generalized-ensemble simulations
Protein folding
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Description
Summary:We review recent progress in generalized-ensemble simulations of proteins. Focusing on the formation of secondary structure, we show how these techniques can lead to a deeper understanding of the folding mechanism in proteins.
ISSN:0378-4371
1873-2119
DOI:10.1016/j.physa.2004.11.027