Comparing the Effects of Different Water Model on Computed Structural Character of H1 Peptide
Modeling, Simulation and Visualization Methods（2010）
摘要
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.
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关键词
h1 peptide,different water,aqueous solution,molecular dynamics simulation,proteins,computed structural character,h2o,opls-aa force field,different water model,biological techniques,water,molecular biophysics,molecular configurations,dynamics character,water model,force field,molecular dynamics method,temperature replica exchange molecular dynamics simulations,h1 peptide computed structural character,replica exchange,peptide simulation,temperature replica exchange,computational modeling,dynamics,force
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