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Sparsely populated folding intermediates of the Fyn SH3 domain: matching native-centric essential dynamics and experiment

Ollerenshaw, J.E.; Kaya, Hüseyin.; Chan, H.Sun.; Kay, L.E.

Proceedings of the National Academy of Sciences of the United States of America 101(41): 14748-14753

2004


ISSN/ISBN: 0027-8424
PMID: 15469926
DOI: 10.1073/pnas.0404436101
Accession: 012571447

A complete description of how a protein folds requires the characterization of intermediate conformations traversed during the folding transition. We have calculated dynamics trajectories of a simplified model of the Fyn SH3 domain with a native-centric potential energy function. Analysis of the resulting site-resolved energy trajectory identifies an ensemble of intermediate conformations for folding and another for unfolding.

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