Metabolite annotation, especially the discovery of unknown metabolites, remains a fundamental challenge in mass spectrometry-based untargeted metabolomics due to limited reference mass spectra. Here ...

DNA and RNA play fundamental roles in various cellular processes, where their three-dimensional structures provide information critical to understanding the molecular mechanisms of their functions.

The development of successful algorithms means that it is now possible to predict the folds of small, single-domain proteins to an accurate degree, at atomic resolution. De novo methods require a ...