Article
Sequence dependence of amyloid fibril formation: insights from molecular dynamics simulations.
Journal of molecular biology - 10 Jun 2005
López de la Paz Manuela, de Mori Giacomo M S, Serrano Luis, Colombo Giorgio
Abstract excerpt
The clarification of the physico-chemical determinants underlying amyloid deposition is critical for our understanding of misfolding diseases. With this purpose we have performed a systematic all-atom molecular dynamics (MD) study of a series of single point mutants of the de novo designed amyloidogenic peptide STVIIE. Sixteen different 50ns long simulations using explicit solvent have been carried out starting...
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