Title :
Structural character of α-syn12 peptide in solution via temperature replica exchange molecular dynamics simulations
Author_Institution :
Key Lab. of Biophys. in Universities of Shandong, Dezhou Univ., Dezhou, China
Abstract :
The dynamics and structural character of α-syn12 peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations by using GROMOS 43A1 force field. The isolated α-syn12 peptide adopts in water a β-sheet structure. These results are consist with other amyloid disease protein.
Keywords :
molecular biophysics; molecular dynamics method; organic compounds; proteins; replica techniques; α-synl2 peptide; β-sheet structure; GROMOS 43A1 force field; amyloid disease protein; structural character; temperature replica exchange molecular dynamics simulations; Biomedical engineering; Biophysics; Computational modeling; Educational institutions; Humans; Parkinson´s disease; Peptides; Proteins; Sampling methods; Temperature; force field; peptide simulation; replica exchange;
Conference_Titel :
BioMedical Information Engineering, 2009. FBIE 2009. International Conference on Future
Conference_Location :
Sanya
Print_ISBN :
978-1-4244-4690-2
Electronic_ISBN :
978-1-4244-4692-6
DOI :
10.1109/FBIE.2009.5405888
