most citedAccurate Prediction of Chemical Shifts for Aqueous Protein Structure for "Real World" Cases using Machine Learning

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physics.chem-ph2019★ 1 cited

Accurate Prediction of Chemical Shifts for Aqueous Protein Structure for "Real World" Cases using Machine Learning

Jie Li, Kochise C. Bennett, Yuchen Liu +2

Accurate prediction of NMR chemical shifts can in principle help refine aqueous solution structure of proteins to the quality of X-ray structures. We report a new machine learning…