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Protein chemical shift detection software tools | NMR-based proteomics data analysis

NMR chemical shift prediction plays an important role in various applications in computational biology. Among others, structure determination, structure optimization, and the scoring of docking results can profit from efficient and accurate chemical shift estimation from a three-dimensional model

Source text:
(Dehof et al., 2013) NightShift: NMR shift inference by general hybrid model training--a framework for NMR chemical shift prediction. BMC Bioinformatics.

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