title: 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.
authors.affiliation: John von Neumann Institute for Computing, Forschungszentrum Jülich, D-52425 Jülich, Germany. priyaanand27@gmail.com
authors.forename: Priya
authors.initials: P
authors.lastname: Anand
authors.forename: F S
authors.initials: FS
authors.lastname: Nandel
authors.forename: Ulrich H E
authors.initials: UH
authors.lastname: Hansmann
mesh_terms: D016229:Amyloid beta-Peptides / Q000737:chemistry* / Q000648:ultrastructure*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D012997:Solvents / Q000737:chemistry*
chemical_list: D016229:Amyloid beta-Peptides; D012997:Solvents