The Alzheimer's beta amyloid (Abeta1-39) monomer in an implicit solvent.
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.
Anand
Priya
P
John von Neumann Institute for Computing, Forschungszentrum Jülich, D-52425 Jülich, Germany. priyaanand27@gmail.com
Nandel
F S
FS
Hansmann
Ulrich H E
UH
D016229:Amyloid beta-Peptides / Q000737:chemistry* / Q000648:ultrastructure*; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D011487:Protein Conformation; D012997:Solvents / Q000737:chemistry*
D016229:Amyloid beta-Peptides; D012997:Solvents