Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.

@article{Marianski2016AssessingTA,
  title={Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.},
  author={Mateusz Marianski and Adriana Supady and Teresa Ingram and Markus Schneider and Carsten Baldauf},
  journal={Journal of chemical theory and computation},
  year={2016},
  volume={12 12},
  pages={
          6157-6168
        }
}
A big hurdle when entering the field of carbohydrate research stems from the complications in the analytical and computational treatment. In effect, this extremely important class of biomolecules remains underinvestigated when compared, for example, with the maturity of genomics and proteomics research. On the theory side, the commonly used empirical methods suffer from an insufficient amount of high-quality experimental data against which they can be thoroughly validated. In order to provide a… CONTINUE READING
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