Home > Publications database > Aβ under stress: the effects of acidosis, Cu 2+ -binding, and oxidation on amyloid β-peptide dimers > print |
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100 | 1 | _ | |a Liao, Qinghua |0 0000-0002-2260-8493 |b 0 |
245 | _ | _ | |a Aβ under stress: the effects of acidosis, Cu 2+ -binding, and oxidation on amyloid β-peptide dimers |
260 | _ | _ | |a Cambridge |c 2018 |b Soc. |
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520 | _ | _ | |a In light of the high affinity of Cu2+ for Alzheimer's Aβ1–42 and its ability to subsequently catalyze the formation of radicals, we examine the effects of Cu2+ binding, Aβ oxidation, and an acidic environment on the conformational dynamics of the smallest Aβ1–42 oligomer, the Aβ1–42 dimer. Transition networks calculated from Hamiltonian replica exchange molecular dynamics (H-REMD) simulations reveal that the decreased pH considerably increased the β-sheet content, whereas Cu2+ binding increased the exposed hydrophobic surface area, both of which can contribute to an increased oligomerization propensity and toxicity. |
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700 | 1 | _ | |a Owen, Michael C. |0 P:(DE-HGF)0 |b 1 |
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700 | 1 | _ | |a Strodel, Birgit |0 P:(DE-Juel1)132024 |b 4 |e Corresponding author |
773 | _ | _ | |a 10.1039/C8CC02263A |g Vol. 54, no. 56, p. 7766 - 7769 |0 PERI:(DE-600)1472881-3 |n 56 |p 7766 - 7769 |t Chemical communications |v 54 |y 2018 |x 1364-548X |
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