title: Computational simulations of the early steps of protein aggregation.
abstract: There is strong evidence that the oligomers of key proteins, formed during the early steps of aggregation, could be the primary toxic species associated with human neuro-degenerative diseases, such as Alzheimer's and prion diseases. Here, we review recent progress in the development of computational approaches in order to understand the structures, dynamics and free energy surfaces of oligomers. We also discuss possible research directions for the coming years.
authors.affiliation: Department of Physics, Fudan University, Shanghai, China.
authors.forename: Guanghong
authors.initials: G
authors.lastname: Wei
authors.forename: Normand
authors.initials: N
authors.lastname: Mousseau
authors.forename: Philippe
authors.initials: P
authors.lastname: Derreumaux
mesh_terms: D000544:Alzheimer Disease / Q000378:metabolism; D000818:Animals; D019295:Computational Biology / Q000379:methods* / Q000639:trends; D006801:Humans; D017096:Prion Diseases / Q000378:metabolism; D011328:Prions / Q000737:chemistry* / Q000378:metabolism; D017510:Protein Folding; D020836:Protein Structure, Quaternary
chemical_list: D011328:Prions