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Starting structures for MD simulations. (A) The crystal structure of HSA bound with seven palmitic acids (PDB: 1E7H) used for simulations of isolated and Aβ40-bound FA·HSA. Subdomains Ia, Ib, IIa, IIb, IIIa, and IIIb are shown in gold, yellow, light green, dark green, pink, and red, respectively; palmitic acids are shown as spheres. (B) Two views of the 12 starting positions of Aβ40 (in color) around HSA (in gray). To see this figure in color, go online.
