chemical shift prediction
,Aires-de-Sousa, M. Hemmer, J. Gasteiger, “ Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90. ,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 ... , The reverse process of calculating a protein structure from chemical shifts is to predict the chemical shifts from a structure. Shift prediction is in ...,Here we report a new machine learning algorithm for protein chemical shift prediction that outperforms existing chemical shift calculators on realistic data that is ... ,(2011) SHIFTX2: significantly improved protein chemical shift prediction. Journal of Biomolecular NMR, Volume 50, Number 1, 43-57. doi: 10.1007/s10858-011- ... , Abstract: The protein chemical shifts holds a large amount of information about the 3-dimensional structure of the protein. A number of chemical ...,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 ... , SHIFTX2: significantly improved protein chemical shift prediction. ... observed and predicted backbone chemical shifts of 0.9800 ((15)N), 0.9959 ..., The correlation between SHIFTX2's predicted and observed side chain chemical shifts is 0.9787 (13C) and 0.9482 (1H) with RMS errors of ...
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 chemical shift prediction 相關參考資料
Protein chemical shift prediction - Wikipedia
https://en.wikipedia.org 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 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 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 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 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 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 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 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 |