A Comprehensive Database for DNA Adductomics
Frontiers in Chemistry, 2022 The exposure of human DNA to genotoxic compounds induces the formation of covalent DNA adducts, which may contribute to the initiation of carcinogenesis.
Giorgia La Barbera +4 more
doaj +1 more source
Automated protein structure calculation from NMR data [PDF]
, 2009 Current software is almost at the stage to permit completely automatic structure determination of small proteins of < 15 kDa, from NMR spectra to structure validation with minimal user interaction.
Craven, C.J., Williamson, M.P.
core +1 more source
Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA [PDF]
, 2022 Nuclear Magnetic Resonance (NMR) spectroscopy is one of the major techniques in structural biology with over 11,800 protein structures deposited in the Protein Data Bank. NMR can elucidate structures and dynamics of small and medium size proteins in solution, living cells, and solids, but has been limited by the tedious data analysis process.
arxiv +1 more source
Updates in metabolomics tools and resources: 2014-2015 [PDF]
, 2016 Data processing and interpretation represent the most challenging and time-consuming steps in high-throughput metabolomic experiments, regardless of the analytical platforms (MS or NMR spectroscopy based) used for data acquisition.
Misra, Biswapriya B. +1 more
core +1 more source
Saponification Value of Fats and Oils as Determined from 1H-NMR Data: The Case of Dairy Fats
Foods, 2022 The saponification value of fats and oils is one of the most common quality indices, reflecting the mean molecular weight of the constituting triacylglycerols.
Mihaela Ivanova +10 more
doaj +1 more source
An application of nuclear magnetic resonance spectroscopy to study faecal canine metabolome
Italian Journal of Animal Science, 2021 Metabolomics provides a description of the phenotype of an organism and complementary biochemical information to genomics and proteomics. The purpose of this research was to depict the metabolite profile of faecal samples from dogs fed three different ...
Elisa Scarsella +4 more
doaj +1 more source
Intra- and inter-metabolite correlation spectroscopy of tomato metabolomics data obtained by liquid chromatography-mass spectrometry and nuclear magnetic resonance [PDF]
, 2008 Nuclear magnetic resonance (NMR) and liquid chromatography-mass spectrometry (LCMS) are frequently used as technological platforms for metabolomics applications.
Bino, R.J. +4 more
core +2 more sources
Metabomatching: Using genetic association to identify metabolites in proton NMR spectroscopy. [PDF]
PLoS Computational Biology, 2017 A metabolome-wide genome-wide association study (mGWAS) aims to discover the effects of genetic variants on metabolome phenotypes. Most mGWASes use as phenotypes concentrations of limited sets of metabolites that can be identified and quantified from ...
Rico Rueedi +9 more
doaj +1 more source
Metabolomic profiling predicts outcome of rituximab therapy in rheumatoid arthritis. [PDF]
, 2016 ObjectiveTo determine whether characterisation of patients' metabolic profiles, utilising nuclear magnetic resonance (NMR) and mass spectrometry (MS), could predict response to rituximab therapy. 23 patients with active, seropositive rheumatoid arthritis
Boyle, David +6 more
core +2 more sources
BMC Bioinformatics, 2008 Background Current efforts in Metabolomics, such as the Human Metabolome Project, collect structures of biological metabolites as well as data for their characterisation, such as spectra for identification of substances and measurements of their ...
Neumann Steffen +3 more
doaj +1 more source