DocumentCode
2540948
Title
Structural character of α-syn12 peptide in solution at high pH
Author
Liu, Lixia
Author_Institution
Agronomy Dept., Dezhou Univ., Dezhou, China
fYear
2010
fDate
16-18 April 2010
Firstpage
207
Lastpage
210
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;
fLanguage
English
Publisher
ieee
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
Type
conf
DOI
10.1109/ICIME.2010.5477473
Filename
5477473
Link To Document