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Text S1 - Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble

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https://figshare.com/articles/dataset/_Multiscale_Approach_to_the_Determination_of_the_Photoactive_Yellow_Protein_Signaling_State_Ensemble_/1224040
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Includes additional figures on: the coarse grained structures from different regions of the PYP folding landscape; a comparison of the similarity of the the different regions of the free energy of the coarse-grained model; example of a reconstructed configuration; secondary structure analysis for different configurations; the results of molecular dynamics performed from the pB structure for the experimental WT-PYP; and the results on the generalized correlation analysis on the predicted pB ensemble. (PDF)
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2014-10-30
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