Computational simulations of the early steps of protein aggregation.
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.
Wei
Guanghong
G
Department of Physics, Fudan University, Shanghai, China.
Mousseau
Normand
N
Derreumaux
Philippe
P
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
D011328:Prions