Structural character of α-syn12 peptide in solution via temperature replica exchange molecular dynamics simulations

摘要

The dynamics and structural character of ¿-syn12 peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations by using GROMOS 43A1 force field. The isolated ¿-syn12 peptide adopts in water a ß-sheet structure. These results are consist with other amyloid disease protein.