Impact of Phosphorylation on the Conformational Landscape and Aggregation Behavior of Aβ40: A Comprehensive Computational Study.
Phosphorylation of amyloid-β (Aβ40) at Ser8 and Ser26 exerts opposing effects on fibril formation: Ser8 phosphorylation promotes aggregation, whereas Ser26 phosphorylation strongly inhibits it. Using replica exchange with solute tempering (REST2) simulations and coarse-grained modeling, we reveal the atomic-level mecha...