“…This RCCS calculation method is also available as a web application. 119 In the rst attempt to apply an advanced machine learning approach for RCCS calibration, Sanz-Hernández and De Simone built the Prosecco neural network model, which uses sequence correction terms. 65 A sufficiently large dataset of more than 20 000 CSs of IDPs and IDRs from BMRB was used, and determination of pairwise correction terms for the i − 2, i − 1, i + 1 and i + 2 positions was achieved.…”
In studying secondary structural propensities of proteins by nuclear magnetic resonance (NMR) spectroscopy, secondary chemical shifts (SCSs) are the primary atomic scale observables. But which random coil chemical shift (RCCS) values to choose?
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