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Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data.
Edison AS, Markley JL, Weinhold F. Edison AS, et al. J Biomol NMR. 1994 Jul;4(4):519-42. doi: 10.1007/BF00156618. J Biomol NMR. 1994. PMID: 8075539
We present ab initio calculations of the Fermi contact term and experimental correlations of six coupling constants, 3JHNH alpha, 1JC alpha H alpha, 2JC'H alpha, 1JC alpha N, 2JC alpha N and 1JC'N, in a peptide as functions of the backbone dihedral angles, phi and psi. Giv …
We present ab initio calculations of the Fermi contact term and experimental correlations of six coupling constants, 3JHNH alpha, 1JC alpha …
Estimates of phi and psi torsion angles in proteins from one-, two- and three-bond nuclear spin-spin couplings: application to staphylococcal nuclease.
Edison AS, Weinhold F, Westler WM, Markley JL. Edison AS, et al. J Biomol NMR. 1994 Jul;4(4):543-51. doi: 10.1007/BF00156619. J Biomol NMR. 1994. PMID: 8075540
Calculated coupling constants (3JHNH alpha, 1JC alpha H alpha, 2JC'H alpha, 1JC alpha N and 2JC alpha N) from our accompanying paper [Edison, A.S. et al. (1994) J. Biomol. NMR, 4, 519-542] have been used to generate error surfaces that can provide estimates of the phi and …
Calculated coupling constants (3JHNH alpha, 1JC alpha H alpha, 2JC'H alpha, 1JC alpha N and 2JC alpha N) from our accompanying paper [Edi …
The future of NMR-based metabolomics.
Markley JL, Brüschweiler R, Edison AS, Eghbalnia HR, Powers R, Raftery D, Wishart DS. Markley JL, et al. Among authors: edison as. Curr Opin Biotechnol. 2017 Feb;43:34-40. doi: 10.1016/j.copbio.2016.08.001. Epub 2016 Aug 28. Curr Opin Biotechnol. 2017. PMID: 27580257 Free PMC article. Review.
141 results