chemical shift prediction
The reverse process of calculating a protein structure from chemical shifts is to predict the chemical shifts from a structure. Shift prediction is in ...,Aires-de-Sousa, M. Hemmer, J. Gasteiger, “ Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90.
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 chemical shift prediction 相關參考資料
Accurate prediction of chemical shifts for aqueous protein ...
Here we report a new machine learning algorithm for protein chemical shift prediction that outperforms existing chemical shift calculators on realistic data that is ... https://pubs.rsc.org Chemical Shift Prediction | Protein NMR
The reverse process of calculating a protein structure from chemical shifts is to predict the chemical shifts from a structure. Shift prediction is in ... https://www.protein-nmr.org.uk NMR Predict - Predict 1H proton NMR spectra
Aires-de-Sousa, M. Hemmer, J. Gasteiger, “ Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90. https://www.nmrdb.org PPMPPM_One: chemical shifts prediction web server
It returns predicted backbone (CA, CB, C', HN, N, HA) and proton side chain chemical shift and compares them with experimental chemical shifts (NMR-STAR v2.1 ... http://spin.ccic.ohio-state.ed Predicting Chemical Shifts
Predicting the chemical shift of proton/s on a sp carbon in a 'H NMR spectrum. Step one: Find the all chemically non-equivalent proton/s. When predicting ... http://web.pdx.edu Protein Chemical Shift Prediction
Abstract: The protein chemical shifts holds a large amount of information about the 3-dimensional structure of the protein. A number of chemical ... https://arxiv.org Protein chemical shift prediction - Wikipedia
https://en.wikipedia.org SHIFTX2
(2011) SHIFTX2: significantly improved protein chemical shift prediction. Journal of Biomolecular NMR, Volume 50, Number 1, 43-57. doi: 10.1007/s10858-011- ... http://www.shiftx2.ca SHIFTX2: significantly improved protein chemical shift ... - NCBI
SHIFTX2: significantly improved protein chemical shift prediction. ... observed and predicted backbone chemical shifts of 0.9800 ((15)N), 0.9959 ... https://www.ncbi.nlm.nih.gov SHIFTX2: significantly improved protein chemical shift prediction
The correlation between SHIFTX2's predicted and observed side chain chemical shifts is 0.9787 (13C) and 0.9482 (1H) with RMS errors of ... https://www.ncbi.nlm.nih.gov |