Buscar
Mostrando ítems 1-10 de 192
NMR assignments of oxidised thioredoxin from Plasmodium falciparum
(Springer NetherlandsDordrecht, 2009-12)
During its life cycle, the malaria parasite Plasmodium falciparum is found intracellular to human erythrocytes, where its survival and ability to multiply critically depends on the control of the environment redox state. ...
“Ask Ernö”: a self‑learning tool for assignment and prediction of nuclear magnetic resonance spectra
Background: We present “Ask Ernö”, a self-learning system for the automatic analysis of NMR spectra, consisting of
integrated chemical shift assignment and prediction tools. The output of the automatic assignment ...
13Check_RNA: A tool to evaluate 13 C chemical shift assignments of RNA
(Oxford University Press, 2018-06)
Motivation: Chemical shifts (CS) are an important source of structural information of macromolecules such as RNA. In addition to the scarce availability of CS for RNA, the observed values are prone to errors due to a wrong ...
A theoretical and experimental study to unequivocal structural assignment of tetrahydroquinoline derivatives
(2013-06-24)
The tetrahydroquinoline derivatives can be easily synthesized through Povarov reaction and have several important biological activities. This work describes a comparative study for the unequivocal assignment of molecular ...
Beyond DP4: An Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts
(American Chemical Society, 2015-11)
The DP4 probability is one of the most sophisticated and popular approaches for the stereochemical assignment of organic molecules using GIAO NMR chemical shift calculations when only one set of experimental data is ...
A complete H-1 and C-13 NMR data assignment for the diterpene methyl (-)-zanzibarate by 2D spectroscopy and NOE experiments
(John Wiley & Sons LtdChichesterInglaterra, 2004)
Pressure dependence of side chain 13C chemical shifts in model peptides Ac-Gly-Gly-Xxx-Ala-NH2
(2017-10-01)
For evaluating the pressure responses of folded as well as intrinsically unfolded proteins detectable by NMR spectroscopy the availability of data from well-defined model systems is indispensable. In this work we report ...
H-1 NMR chemical shifts and coupling constants of some 3-monosubstituted 2-methylpropenes
(John Wiley & Sons LtdW SussexInglaterra, 1997)
A theoretical and experimental study to unequivocal structural assignment of tetrahydroquinoline derivatives
(2013-06-24)
The tetrahydroquinoline derivatives can be easily synthesized through Povarov reaction and have several important biological activities. This work describes a comparative study for the unequivocal assignment of molecular ...
Configuration of stilbene derivatives by (1)H NMR and theoretical calculation of chemical shifts
(ELSEVIER SCIENCE BV, 2010)
The direct E/Z configuration assignment of tri- and tetra-substituted stilbenes (and other analogous olefins) when only one of the isomers is available is a quite challenging task. Sometimes, a chemical transformation or ...