Force-field dependence of the conformational properties of α,ω-dimethoxypolyethylene glycol

  title={Force-field dependence of the conformational properties of $\alpha$,$\omega$-dimethoxypolyethylene glycol},
  author={Moritz Winger and Alex H. de Vries and Wilfred F. van Gunsteren},
  journal={Molecular Physics},
  pages={1313 - 1321}
A molecular dynamics (MD) study of α,ω-dimethoxypolyethylene glycol has been carried out under various conditions with respect to solvent composition, ionic strength, chain length, force field and temperature. A previous MD study on a 15-mer of polyethyleneglycol (PEG) suggested a helical equilibrium structure that was stabilised by hydrogen bonding and bridging water molecules. Experiments show that PEG is highly soluble in water, and indicate that clustering is not favoured. In the present… 
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