Nature Communications (Jun 2019)

Auto-encoding NMR chemical shifts from their native vector space to a residue-level biophysical index

  • Gabriele Orlando,
  • Daniele Raimondi,
  • Wim F. Vranken

DOI
https://doi.org/10.1038/s41467-019-10322-w
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 9

Abstract

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NMR chemical shift information is highly valuable in the investigation of small molecule and protein structure. Here, the authors developed a neural network approach to unify protein chemical shifts and their changes in response to changes in protein sequence, structure, and dimerization interactions.