Title :
Structural character of α-syn12 peptide in solution at high pH
Author_Institution :
Agronomy Dept., Dezhou Univ., Dezhou, China
Abstract :
The dynamics and structural character of a-syn12 peptide in aqueous solution at high pH has been investigated through temperature replica exchange molecular dynamics simulations by using GROMOS 43A1 force field. The isolated a-syn12 peptide adopts in water an a-helix structure at high pH. These results are distinct from other amyloid disease protein at neutral pH.
Keywords :
biochemistry; macromolecules; molecular biophysics; molecular configurations; molecular dynamics method; pH; proteins; water; α-helix structure; α-syn12 peptide; GROMOS 43A1 force field; aqueous solution; high pH value; temperature replica exchange molecular dynamics simulations; water; Computational modeling; Humans; Magnetic analysis; Nuclear magnetic resonance; Parkinson´s disease; Peptides; Proteins; Sampling methods; Spectroscopy; Temperature; force field; peptide simulation; replica exchange;
Conference_Titel :
Information Management and Engineering (ICIME), 2010 The 2nd IEEE International Conference on
Conference_Location :
Chengdu
Print_ISBN :
978-1-4244-5263-7
Electronic_ISBN :
978-1-4244-5265-1
DOI :
10.1109/ICIME.2010.5477473
