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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Cited articles

Balayssac, S., Bertini, I., Luchinat, C., Parigi, G., and Piccioli, M.: 13C direct detected NMR increases the detectability of residual dipolar couplings, J. Am. Chem. Soc., 128, 15042–15043, https://doi.org/10.1021/ja0645436, 2006. a
Banci, L., Bertini, I., Cavallaro, G., Giachetti, A., Luchinat, C., and Parigi, G.: Paramagnetism-based restraints for Xplor-NIH, J. Biomol. NMR, 28, 249–261, https://doi.org/10.1023/B:JNMR.0000013703.30623.f7, 2004. a
Bashir, Q., Volkov, A. N., Ullmann, G. M., and Ubbink, M.: Visualization of the encounter ensemble of the transient electron transfer complex of cytochrome c and cytochrome c peroxidase, J. Am. Chem. Soc., 132, 241–247, https://doi.org/10.1021/ja9064574, 2010. a, b
Bax, A.: Weak alignment offers new NMR opportunities to study protein structure and dynamics, Protein Sci., 12, 1–16, https://doi.org/10.1110/ps.0233303, 2003. a
Bertini, I., Janik, M. B. L., Lee, Y.-M., Luchinat, C., and Rosato, A.: Magnetic susceptibility tensor anisotropies for a lanthanide ion series in a fixed protein matrix, J. Am. Chem. Soc., 123, 4181–4188, https://doi.org/10.1021/ja0028626, 2001a. a
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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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