Results 71 to 80 of about 4,448,305 (256)
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
, 1965 Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
Chemical Physics ImpactThe published molecule (S)-3-Benzyl-5-(phenylselanyl)-6-(p-tolyl)-3,4-dihydropyran-2-one (3B6PL) was selected for the identification of anticancer properties, and the computational calculations were employed using density function theory (DFT) with the ...
S. Durgadevi +7 more
doaj +1 more source
FEBS Letters, EarlyView.Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell +2 more
wiley +1 more source
, 1957 Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
IDSL_MINT: a deep learning framework to predict molecular fingerprints from mass spectra
Journal of CheminformaticsThe majority of tandem mass spectrometry (MS/MS) spectra in untargeted metabolomics and exposomics studies lack any annotation. Our deep learning framework, Integrated Data Science Laboratory for Metabolomics and Exposomics—Mass INTerpreter (IDSL_MINT ...
Sadjad Fakouri Baygi +1 more
doaj +1 more source
Effect of molecular weight on the optical properties of polyimide films
Results in ChemistryTo investigate the effect of molecular weight on the optical properties, a series of polyimide films with varying molar ratios of pyromellitic dianhydride (PMDA) to 4,4′-diaminodiphenyl ether (ODA) were synthesized.
Panpan Zhang, Ting Du
doaj +1 more source
Structural and biochemical analysis of a B12 superbinder
FEBS Letters, EarlyView.BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices +3 more
wiley +1 more source
, 1959 Report containing articles, manuscripts, and tabulations of recorded spectra created by the Spectroscopic Laboratory of the University of ...
University of Chicago. Laboratory of Molecular Structure and Spectra.
core
Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra
Advanced Science, 2019 Deep learning methods for the prediction of molecular excitation spectra are presented. For the example of the electronic density of states of 132k organic molecules, three different neural network architectures: multilayer perceptron (MLP ...
Kunal Ghosh +6 more
doaj +1 more source