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Updated: Nov 2, 2025

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Chemometric Outlier Classification of 2D-NMR Spectra to Enable Higher Order Structure Characterization of Protein

David A Sheen1, Vincent K Shen1, Robert G Brinson2

  • 1Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, MD 20899, USA.

Chemometrics and Intelligent Laboratory Systems : an International Journal Sponsored by the Chemometrics Society
|June 17, 2021
PubMed

Keywords:
NISTmAbNuclear Magnetic Resonance (NMR)biopharmaceuticalschemometricshigher order structuremonoclonal antibody (mAb)spectral similarity metric

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