DocumentCode
2502136
Title
Comparing the Effects of Different Force Fields on Computed Structural Character of H1 Peptide
Author
Cao, Zanxia ; Wang, Jihua
Author_Institution
Key Lab. of Biophys. in Univs. of Shandong, Dezhou Univ., Dezhou, China
fYear
2009
fDate
11-13 June 2009
Firstpage
1
Lastpage
4
Abstract
The dynamics character of HI peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations with using two different force fields (OPLS-AA and GROMOS). The simulation using OPLS-AA force field produced more sampling in the alpha region relative to GROMOS 43A1 force field.
Keywords
molecular biophysics; molecular dynamics method; molecular force constants; organic compounds; proteins; GROMOS 43A1 force field; H1 peptide structural character; aqueous solution; molecular dynamics simulation; peptide dynamics character; temperature replica exchange; Biophysics; Computational modeling; Concurrent computing; Educational institutions; Peptides; Proteins; Sampling methods; Spine; Temperature; Water resources;
fLanguage
English
Publisher
ieee
Conference_Titel
Bioinformatics and Biomedical Engineering , 2009. ICBBE 2009. 3rd International Conference on
Conference_Location
Beijing
Print_ISBN
978-1-4244-2901-1
Electronic_ISBN
978-1-4244-2902-8
Type
conf
DOI
10.1109/ICBBE.2009.5162536
Filename
5162536
Link To Document