& Wüthrich, K. ( 1983 ) Protein conformation and proton NMR chemical shifts , Eur. J. Biochem. 137 , 445 – 454 .Pardi A , Wagner G , Wüthrich K. 1983 . Protein conformation and proton nuclear-magnetic-resonance chemical shifts . Eur J Biochem 137 : 445 – 454 ....
The proton chemical shifts of2-hydroxy-1, 3-propanediamine-N, N, N′, N′ -tetraacetic acid and 1, 3- propanediamine-N,N,N′,N′-tetraacetic acid in 1:1 complexes with diamagnetic metal ions have been investigated as a function o f the metal ion charge Z and crystal ionic radius r....
Kuroki, I. Ando, Proton NMR chemical shift behavior of hydrogen-bonded amide proton of glycin-containing peptides and polypeptides as studied by ab initio MO calculation, Int. J. Mol. Sci. 3 (2002) 907-913.Hori,S., Yamauchi,K., Kuroki,S. and Ando,I. (2002) Proton NMR chemical ...
1H chemical shifts in NMR. Part 24—proton chemical shifts in some gem-difunctional compounds: 3-endo- and 3-exo-substituted nor... H chemical shifts in NMR. Part 24 - Proton chemical shifts in some gem-difunctional compounds: 3-endo- and 3-exo-substituted norbornanones... Gisele,F.,...
The invention discloses a method to generate and analyze NMR chemical shift based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that has implications for encoding several prop...
ChemInform Abstract: Proton Chemical Shifts in NMR. Part 12. Steric, Electric Field and Conformational Effects in Acyclic and Cyclic Ethers (I)—(VI).magnetic resonance, nuclear quadrupole resonance (organic substancespyran derivativesChemInform is a weekly Abstracting Service, delivering concise ...
magnetic resonance, nuclear quadrupole resonance (organic substancesNo abstract is available for this article.doi:10.1002/chin.198234051HAIGH, C. WMALLION, R. BWILEY‐VCH Verlag GmbHChemischer Informationsdienst
Anisotropic NMR has contributed powerful complementary restraints to isotropic chemical shifts, NOEs andJ-couplings9,10as implemented, for example, in the powerful DP4+ analysis tool25. Measurement of anisotropic NMR parameters requires partial ordering of the molecules in alignment media such as alignin...
Internuclear distance dependence of the spin–orbit coupling contributions to proton NMR chemical shifts The internuclear distance dependence of the electronic spin–orbit coupling contribution to nuclear magnetic resonance shielding constants – which causes ... B Minaev,J Vaara,K Ruud,... - 《...
in particular for the G-N1 H, T(or U)-N3H protons and the protons of the amino groups of A, G c, when combined with previous computations on the shifts to be expected upon base stacking, may enable a refined analysis of the high resolution NMR spectra of self complementary polynucleotid...