The ENSEMBLE suite contains tools to determine and analyze the weighted ensemble of structures that best represents the unfolded state within the boundaries of a pre-determined conformer pool. In order to do this, a weighted ensemble is used to represent the unfolded state as a collection of rigid structures, each associated with a numerical term proportional to the time-averaged existence of that particular conformation.
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J Mol Biol. 2009 Aug 14;391(2):359-74. doi: 10.1016/j.jmb.2009.06.001. Epub 2009 Jun 6.
Structure and disorder in an unfolded state under nondenaturing conditions from ensemble models consistent with a large number of experimental restraints.
Marsh JA, Forman-Kay JD.