College of Liberal Arts & Sciences

Spontaneous Dimer States of the Aβ21-30 Decapeptide Fragment

Wednesday, March 26, 2014

March 26, Wed 2014
4:00 pm, MRB 200

Micholas Smith

Department of Physics, Drexel University

Spontaneous Dimer States of the Aβ21-30 Decapeptide Fragment

Alzheimer's disease is associated with the production of neurotoxic oligomers of amyloid β-protein (Aβ). The assembly of these oligomers, however, is not fully understood. The study of the assembly of low order oligomers, such as dimers, is a step towards a solution. The Aβ21-30 decapeptide fragment has been identified as the folding nucleus of the Aβ. Performing all-atom molecular dynamics simulations, the formation of spontaneous dimer states of two isolated decapeptides of this region is examined through the metrics of secondary structure, hydrogen-bonding and the stabilities of these states. Further, I present new work on the influence of CaCl2 on the formation and stabilities of these same dimer states.



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