Towards generalized structure determination of in-cell NMR using the fully automated structure analysis

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Investigating proteins "at work" in a living environment is a major goal of molecular biology. New NMR methodology has enabled the measurement of multi-dimensional NMR spectra of proteins in living cells. Compared to in vitro spectra of purified proteins in-cell NMR spectra typically show a significant number of background signals, low signal-noise ratio, and broadened signals that lead to a much higher assignment ambiguity, which makes it difficult and cumbersome to check all possibilities manually. In this project, we developed a fully automated structure determination algorithm, NOESY-FLYA method, and optimized it to the in-cell NMR data.