Spontaneous dimer states of the Aβ21–30 decapeptide

Abstract

Constant temperature and replica-exchange molecular dynamics simulations of two Aβ_21–30 decapeptides in explicit solvent reveal metastable dimer states that are abundant near physiological temperatures. As Alzheimer's disease is associated with the neurotoxic oligomers of amyloid β-protein, the formation of these dimers provides insight into oligomer assembly.