Articles | Volume 3, issue 2
Research article
01 Aug 2022
Research article |  | 01 Aug 2022

An improved, time-efficient approach to extract accurate distance restraints for NMR2 structure calculation

Aditya Pokharna, Felix Torres, Harindranath Kadavath, Julien Orts, and Roland Riek

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Cited articles

Ashkinadze, D., Kadavath, H., Riek, R., and Güntert, P.: Optimization and validation of multi-state NMR protein structures using structural correlations, J. Biomol. NMR, 76, 39–47,, 2022. a
Boelens, R., Koning, T. M. G., and Kaptein, R.: Determination of biomolecular structures from proton-proton NOE's using a relaxation matrix approach, J. Mol. Struct., 173, 299–311,, 1988. a
Güntert, P. and Buchner, L.: Combined automated NOE assignment and structure calculation with CYANA, J. Biomol. NMR, 62, 453–471,, 2015. a, b, c, d, e
Kalk, A. and Berendsen, H. J. C.: Proton magnetic relaxation and spin diffusion in proteins, J. Magn. Reson., 24, 343–366,, 1976. a
Keepers, J. W. and James, T. L.: A theoretical study of distance determinations from NMR. Two-dimensional nuclear overhauser effect spectra, J. Magn. Reson., 57, 404–426,, 1984.fcro a
Short summary
A straightforward, rather accurate approach to extract quantitative restraints for the structure calculation of ligand–protein complexes is presented.