Results 21 to 30 of about 1,635,553 (300)
Marine Drugs, 2023 The adamantane structure of arsenicin A and nor-adamantane structures of arsenicins B–D have gained attention as unique natural polyarsenicals, as well as hits showing promising anticancer activity.
Andrea Defant, Ines Mancini
doaj +1 more source
Backbone chemical shift assignments of human 14-3-3$\sigma$ [PDF]
, 2019 14-3-3 proteins are a group of seven dimeric adapter proteins that exert their biological function by interacting with hundreds of phosphorylated proteins, thus influencing their sub-cellular localization, activity or stability in the cell.
Boll, Emmanuelle +5 more
core +3 more sources
Stereo-Aware Extension of HOSE Codes [PDF]
, 2019 The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.Descriptions of molecular environments have many applications in chemoinformatics, including chemical shift
Johnson, Sean R., Kuhn, Stefan
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Applications of 19F-NMR in Fragment-Based Drug Discovery
Molecules, 2016 19F-NMR has proved to be a valuable tool in fragment-based drug discovery. Its applications include screening libraries of fluorinated fragments, assessing competition among elaborated fragments and identifying the binding poses of promising hits.
Raymond S. Norton +3 more
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Computational and Experimental 1H-NMR Study of Hydrated Mg-Based Minerals
Molecules, 2020 Magnesium oxide (MgO) can convert to different magnesium-containing compounds depending on exposure and environmental conditions. Many MgO-based phases contain hydrated species allowing 1H-nuclear magnetic resonance (NMR) spectroscopy to be used in the ...
Eric G. Sorte +2 more
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Neighbouring residue effects on the ^(15)N chemical shifts of some aliphatic dipeptides [PDF]
, 1975 The ^(15)N chemical shifts of a number of simple aliphatic dipeptides have been determined in a aqueous solution and while the amine nitrogen shift is independent of the nature of the neighbouring residue, the peptide nitrogen shift shows a marked ...
Loftus, Philip +3 more
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1H/13C chemical shift calculations for biaryls: DFT approaches to geometry optimization
Royal Society Open Science, 2021 Twelve common density functional methods and seven basis sets for geometry optimization were evaluated on the accuracy of 1H/13C NMR chemical shift calculations for biaryls. For these functionals, 1H shifts calculations for gas phase optimized geometries
Thien T. Nguyen
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Tomography, 2021 The aim of this study was to calculate MRI quantitative parameters extracted from chemical-shift (CS) and dynamic contrast-enhanced (DCE) T1-weighted (T1-WS) images of adrenal lesions (AL) with qualitative heterogeneous signal drop on CS T1-WS and ...
Arnaldo Stanzione +10 more
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Differential diagnosis of adrenal masses by chemical shift and dynamic gadolinium enhanced MR imaging. [PDF]
, 2003 Chemical shift MRI is widely used for identifying adenomas, but it is not a perfect method. We determined whether combined dynamic MRI methods can lead to improved diagnostic accuracy.
Akaki, Shiro +5 more
core +1 more source
Gels, 2022 Interfacial interaction amongst the antidepressant drug-imipramine hydrochloride (IMP) and pharmaceutical excipient (triton X-100 (TX-100-nonionic surfactant)) mixed system of five various ratios in dissimilar media (H2O/50 mmol·kg−1 NaCl/250 mmol·kg−1 ...
Malik Abdul Rub +3 more
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