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J Am Chem Soc. 2003 Dec 24;125(51):15686-7.

Rare fluctuations of native proteins sampled by equilibrium hydrogen exchange.

Author information

1
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

Abstract

We present a method for determining the ensembles of native protein structures that result from the large fluctuations of low probability revealed by hydrogen-exchange experiments. The measured protection factors are used to bias Monte Carlo simulations to sample the structures of the exchange competent species. The approach is illustrated by its application to the case of alpha-lactalbumin.

PMID:
14677926
DOI:
10.1021/ja036523z
[Indexed for MEDLINE]

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