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. 2014 Sep 11;118(36):10576-87.
doi: 10.1021/jp504820w. Epub 2014 Aug 27.

Exploring regions of conformational space occupied by two-domain proteins

Witold Andrałojć  1 , Claudio Luchinat, Giacomo Parigi, Enrico Ravera
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Exploring regions of conformational space occupied by two-domain proteins

Witold Andrałojć et al. J Phys Chem B. .

Abstract

The presence of heterogeneity in the interdomain arrangement of several biomolecules is required for their function. Here we present a method to obtain crucial clues to distinguish between different kinds of protein conformational distributions based on experimental NMR data. The method explores subregions of the conformational space and provides both upper and lower bounds of probability for the system to be in each subregion.

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