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The Alzheimer's beta amyloid (Abeta1-39) monomer in an implicit solvent.


ABSTRACT: Results from replica-exchange and regular room temperature molecular dynamics simulations of the Alzheimer's beta amyloid (Abeta(1-39)) monomer in an implicit solvent are reported. Our data indicate that at room temperature, the monomer assumes random-coil and soluble conformations. No beta content is observed which therefore seems to be a product of oligomerization and aggregation of monomers.

SUBMITTER: Anand P 

PROVIDER: S-EPMC5947597 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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The Alzheimer's beta amyloid (Abeta1-39) monomer in an implicit solvent.

Anand Priya P   Nandel F S FS   Hansmann Ulrich H E UH  

The Journal of chemical physics 20080401 16


Results from replica-exchange and regular room temperature molecular dynamics simulations of the Alzheimer's beta amyloid (Abeta(1-39)) monomer in an implicit solvent are reported. Our data indicate that at room temperature, the monomer assumes random-coil and soluble conformations. No beta content is observed which therefore seems to be a product of oligomerization and aggregation of monomers. ...[more]

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