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Computational simulations of the early steps of protein aggregation Wei G; Mousseau N; Derreumaux PPrion 2007[Jan]; 1 (1): 3-8There 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.|*Protein Folding[MESH]|Alzheimer Disease/metabolism[MESH]|Animals[MESH]|Computational Biology/*methods/trends[MESH]|Humans[MESH]|Prion Diseases/metabolism[MESH]|Prions/*chemistry/metabolism[MESH]|Protein Structure, Quaternary[MESH] |
