Title :
Comparing the Effects of Different Water Model on Computed Structural Character of H1 Peptide
Author_Institution :
Key Lab. of Biophys. in Univs. of Shandong, Dezhou Univ., Dezhou, China
Abstract :
The structural and dynamics character of H1 peptide in aqueous solution has been investigated through temperature replica exchange molecular dynamics simulations with using two different water combined with OPLS-AA force field.
Keywords :
biological techniques; molecular biophysics; molecular configurations; molecular dynamics method; proteins; water; H1 peptide computed structural character; H2O; OPLS-AA force field; aqueous solution; temperature replica exchange molecular dynamics simulations; water model; Biological system modeling; Computational modeling; Dynamics; Force; Peptides; Proteins; Solvents; force field; peptide simulation; replica exchange;
Conference_Titel :
Modeling, Simulation and Visualization Methods (WMSVM), 2010 Second International Conference on
Conference_Location :
Sanya
Print_ISBN :
978-1-4244-7077-8
Electronic_ISBN :
978-1-4244-7078-5
DOI :
10.1109/WMSVM.2010.12
