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. 2022 Jan 25;33(2):ar19. doi: 10.1091/mbc.E21-06-0285

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© 2022 Xie et al. “ASCB®,” “The American Society for Cell Biology®,” and “Molecular Biology of the Cell®” are registered trademarks of The American Society for Cell Biology.

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FIGURE 3: — Computer simulation of the complex assembly of Bni1-Bud6-Aip5. (A) Initial structures of Bni1-C, Aip5C, and Bud6^core for setting up the MD simulations. (B) The most stable complex conformation (Simulation 4 in Supplemental Figure S2) from MD simulations among the eight randomly positioned nucleation complexes (Bni1-C, green; Aip5C orange; Bud6C, pink). (C) The minimal distance plot of each residue of Bni1-C from Aip5C (orange) and Bud6^core(green), respectively, in the complex conformation in B.