Title :
A comparative study of four different temperatures on structural character of α-syn12 peptide in solution
Author_Institution :
Key Lab. of Biophys. in Universities of Shandong, Dezhou Univ., Dezhou, China
Abstract :
We have performed temperature replica exchange molecular dynamics simulations on α-syn12 peptide in aqueous solution by using GROMOS 43A1 force field. The dynamics and structural character under four different temperatures have been investigated through the backbone dihedral angle, representative structure etc.
Keywords :
biothermics; bond angles; molecular biophysics; proteins; α-syn12 peptide; GROMOS 43A1 force field; aqueous solution; backbone dihedral angle; molecular dynamics simulations; representative structure; temperature replica exchange; Biophysics; Coils; Computational modeling; Educational institutions; Humans; Parkinson´s disease; Peptides; Proteins; Sampling methods; Temperature; α-synuclein; force field; peptide simulation; replica exchange;
Conference_Titel :
Future Computer and Communication (ICFCC), 2010 2nd International Conference on
Conference_Location :
Wuhan
Print_ISBN :
978-1-4244-5821-9
DOI :
10.1109/ICFCC.2010.5497526
