@article{Exner2012Towar-21314,
  year={2012},
  doi={10.1021/ct300701m},
  title={Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model},
  number={11},
  volume={8},
  issn={1549-9618},
  journal={Journal of Chemical Theory and Computation},
  pages={4818--4827},
  author={Exner, Thomas E. and Frank, Andrea and Ionut, Onila and Möller, Heiko M.}
}

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