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Structural analysis of the MD simulation results.

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posted on 13.04.2015, 06:11 by Yunjie Zhao, Chen Zeng, Michael A. Massiah

(A) Backbone RMSFs for WT (blue), A130T (red), and A130V (orange) during the MD simulations. (B) Time evolution of the secondary structural elements, based on DSSP classification, of the wild type and mutant proteins. (C) The angle formed by the Cα atoms of D129, A130, and V131. (D) The angle fluctuations for WT (blue), A130T (red), and A130V (orange) during the MD simulations with the corresponding histogram to the side.

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