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

Paramagnetic metal ions with fast-relaxing electrons generate pseudocontact shifts (PCSs), residual dipolar couplings (RDCs), paramagnetic relaxation enhancements (PREs) and cross-correlated relaxation (CCR) in the nuclear magnetic resonance (NMR) spectra of the molecules they bind to. These effects...

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Detalles Bibliográficos
Autores principales:	Orton, Henry William, Huber, Thomas, Otting, Gottfried
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Copernicus GmbH 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500712/ https://www.ncbi.nlm.nih.gov/pubmed/37904891 http://dx.doi.org/10.5194/mr-1-1-2020

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