Fast protein folding on downhill energy landscape

TitleFast protein folding on downhill energy landscape
Publication TypeJournal Article
Year of Publication2003
AuthorsCavalli A., Haberthür U., Paci E., Caflisch A.
JournalProtein Science
Volume12
Issue8
Pagination1801-1803
Date Published2003 Aug
Type of ArticleResearch Article
ISSN0961-8368
KeywordsAlgorithms, Computer Simulation, Models, Chemical, Protein Folding, Protein Structure, Secondary, Proteins, Thermodynamics, Time Factors
Abstract

Proteins fold in a time range of microseconds to minutes despite the large amount of possible conformers. Molecular dynamics simulations of a three-stranded antiparallel β-sheet peptide (for a total of 12.6 μs and 72 folding events) show that at the melting temperature the unfolded state ensemble contains many more conformers than those sampled during a folding event.

DOI10.1110/ps.0366103
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Alternate JournalProtein Sci.
PubMed ID12876329
PubMed Central IDPMC2323966
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