Figure 3.

Stabilities of the 10 antibody–Aβ₄₀^16mer structures obtained from docking. The initial and final structures of all the systems can be seen in Figure SI. (a) Average binding energy between Aβ₄₀ fibril and antibodies. The binding energy is calculated by 〈E_bind〉 = 〈E_complex〉 − 〈E_antibody〉 – 〈E_peptide〉. (b) Initial and final structures of three antibody–Aβ₄₀^l6mer complexes with negative binding energy (C-MD1, C-MD2, and G-MD4). Aβ, HC, and LC are colored in blue, green, and pink, respectively.