Rare Fluctuations of Native Proteins Sampled by Equilibrium Hydrogen Exchange
Publication information:
Vendruscolo M, Paci E, Dobson C, Karplus M. Rare Fluctuations of Native Proteins Sampled by Equilibrium Hydrogen Exchange. Journal of the American Chemical Society. 2003;125(51):15686–15687.
Abstract
We present a method for detg. the ensembles of native protein structures that result from the large fluctuations of low probability revealed by hydrogen-exchange expts. 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 α-lactalbumin.