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Open AccessDeepRank: a deep learning framework for data mining 3D protein-protein interfaces
Three-dimensional (3D) structures of protein complexes provide fundamental information to decipher biological processes at the molecular scale. The vast amount of experimentally and computationally resolved pr...
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Open AccessMS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
Mass spectrometry data is one of the key sources of information in many workflows in medicine and across the life sciences. Mass fragmentation spectra are generally considered to be characteristic signatures o...
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Open AccessA community resource for paired genomic and metabolomic data mining
Genomics and metabolomics are widely used to explore specialized metabolite diversity. The Paired Omics Data Platform is a community initiative to systematically document links between metabolome and (meta)gen...
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Open AccessSleep classification from wrist-worn accelerometer data using random forests
Accurate and low-cost sleep measurement tools are needed in both clinical and epidemiological research. To this end, wearable accelerometers are widely used as they are both low in price and provide reasonably...
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Chapter
Automated Annotation of Microbial and Human Flavonoid-Derived Metabolites
Flavonoids are a class of natural compounds essentially produced by plants that are part of animal and human diets and have assumed health-promoting benefits. Upon human consumption, these flavonoids are to a ...
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Structural elucidation of low abundant metabolites in complex sample matrices
Identification of metabolites is a major challenge in biological studies and relies in principle on mass spectrometry (MS) and nuclear magnetic resonance (NMR) methods. The increased sensitivity and stability ...
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Reference Work Entry In depth
Flavoenzyme Mechanisms: p-Hydroxybenzoate Hydroxylase and Phenol Hydroxylase – Computational Studies
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Protocol
Computational Methods in Flavin Research
With the continuously increasing power of computers, quantum chemistry is becoming a valuable theoretical tool in enzyme research. Molecules as large as flavins can now be treated by computational methods of r...
