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Rare Fluctuations of Native Proteins Sampled by Equilibrium Hydrogen Exchange

Journal of the American Chemical SocietyPublished 1 December 2003
Michele Vendruscolo, Emanuele Paci, Christopher M. Dobson, Martin Karplus
Citations133
SJR quartileQ1
SJR score5.55
SNIP2.61

TL;DR

A method for determining the ensembles of native protein structures that result from the large fluctuations of low probability revealed by hydrogen-exchange experiments, illustrated by its application to the case of alpha-lactalbumin.

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.

Keywords

ChemistryMaterials ScienceBiochemistry, Genetics and Molecular Biology