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Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences

The program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic data and paramagnetic NMR data (pseudocontact shifts and self-orientation residual dipolar couplings) and/or diamagnetic residual dipolar couplings. Incorporation of these long-range NMR restraints in...

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Detalles Bibliográficos
Autores principales:	Rinaldelli, Mauro, Ravera, Enrico, Calderone, Vito, Parigi, Giacomo, Murshudov, Garib N., Luchinat, Claudio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2014
Materias:	Research Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4306559/ https://www.ncbi.nlm.nih.gov/pubmed/24699641 http://dx.doi.org/10.1107/S1399004713034160

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