Prediction of peptide ion mobilities via a priori calculations from intrinsic size parameters of amino acid residues.

@article{Shvartsburg2001PredictionOP,
  title={Prediction of peptide ion mobilities via a priori calculations from intrinsic size parameters of amino acid residues.},
  author={Alexandre A Shvartsburg and K. W. Michael Siu and David E. Clemmer},
  journal={Journal of the American Society for Mass Spectrometry},
  year={2001},
  volume={12 8},
  pages={885-8}
}
Ion mobility spectrometry (IMS) has recently been established as a powerful tool to separate the protease digest mixtures and identify their peptide components. As accurate calculation of mobilities is critical for this technique, a new rapid method based on intrinsic size parameters (ISPs) of amino acid residues has been devised. However, those parameters had to be obtained by tedious statistical analysis of a large body of experimental data. Here we demonstrate that they can instead be… CONTINUE READING

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