On the influence of hydrated imidazolium-based ionic liquid on protein structure stability: a molecular dynamics simulation study.

@article{Shao2013OnTI,
  title={On the influence of hydrated imidazolium-based ionic liquid on protein structure stability: a molecular dynamics simulation study.},
  author={Qiang Shao},
  journal={The Journal of chemical physics},
  year={2013},
  volume={139 11},
  pages={115102}
}
The structure stability of three α-helix bundle (the B domain of protein A) in an imidazolium-based ionic liquid (1-butyl-3-methylimidazolium chloride (BMIM-Cl)) is studied by molecular dynamics simulations. Consistent with previous experiments, the present simulation results show that the native structure of the protein is consistently stabilized in BMIM-Cl solutions with different concentrations. It is observed that BMIM(+) cations have a strong tendency to accumulate on protein surface… CONTINUE READING