Magnetic Resonance
Magnetic Resonance
MR
Articles | Volume 1, issue 1
Articles | Volume 1, issue 1
https://doi.org/10.5194/mr-1-1-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-1-1-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 1, issue 1
Research article
 | 
14 Feb 2020
Research article |  | 14 Feb 2020

Paramagpy: software for fitting magnetic susceptibility tensors using paramagnetic effects measured in NMR spectra

Henry William Orton, Thomas Huber, and Gottfried Otting

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Short summary
Nuclear magnetic resonance is a technique that allows the measurement of the nanoscale distances between the atoms of a molecule. It is often relied upon for finding the structure of a molecule and how atoms are bonded, but measurements become inaccurate for large distances and therefore for large biological molecules. This research presents a new software for calculating the distances between nuclei and unpaired electrons which offers more accurate long-range distances in biological molecules.
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