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. 2020 Feb 18;25(4):904. doi: 10.3390/molecules25040904

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Effects of pyrimethamine binding on intra-protein communication: Structural mapping of residues showing significant changes in average BC. Changes in residue centrality (ΔBC) values were obtained by calculating pyrimethamine-free less pyrimethamine-bound average BC values. Residues with significant changes in BC were obtained by using a cutoff value of +/−2 SD of ΔBC values for each system. Red spheres represent residues with positive ΔBC values, while blue spheres are residues with negative ΔBC values. Also shown in spheres are pyrimethamine-resistant point mutations investigated in this study: Figure 8 coloring scheme was implemented here as well.