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. 2024 Sep 20;15(19):3543–3562. doi: 10.1021/acschemneuro.4c00453

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© 2024 The Authors. Published by American Chemical Society

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Sum of individual interaction energies involving the Aducanumab-residue::Aβ_2–7-residue contacts up to 8 Å. The profiles of interaction energy of (A) Aducanumab-HC(Wild):: Aβ_2–7, (B) Aducanumab-LC(Wild):: Aβ_2–7, (C) Aducanumab-HC(Mut)::Aβ_2–7, and (D) Aducanumab-LC(Mut):: Aβ_2–7 are based on the ensemble of final conformations from MD. The same description of these subsystems (Aducanumab-HC (Wild)/Aducanumab-LC (Wild)/Aducanumab-HC (Mut)/Aducanumab-LC (Mut)::Aβ_2–7) considering RC are represented in (E–H), respectively. The residues near lines (A–D) make most of the surface contacts.