New machine learning method to analyze complex scientific data of proteins: Method allows faster and more accurate data analysis from NMR spectrometers - Science Daily
New machine learning method to analyze complex scientific data of proteins: Method allows faster and more accurate data analysis from NMR spectrometers - Science Daily
New machine learning method to analyze complex scientific data of proteins: Method allows faster and more accurate data analysis from NMR spectrometers - Science Daily
[NMR paper] Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method.
Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method.
Related Articles Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method.
Phys Chem Chem Phys. 2020 Nov 27;:
Authors: Chandy SK, Thapa B, Raghavachari K
Abstract
We have developed an efficient protocol using our two-layer Molecules-in-Molecules (MIM2) fragmentation-based quantum chemical method for the prediction of NMR chemical...
nmrlearner
Journal club
0
11-29-2020 08:12 AM
[NMR paper] Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Compression of multidimensional NMR spectra allows a faster and more accurate analysis of complex samples.
Chem Commun (Camb). 2018 Mar 28;54(25):3090-3093
Authors: Puig-Castellví F, Pérez Y, Piña B, Tauler R, Alfonso I
Abstract
We propose an approach to efficiently compress and denoise...
nmrlearner
Journal club
0
04-12-2018 01:11 PM
Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures
Maximal clique method for the automated analysis of NMR TOCSY spectra of complex mixtures
Abstract
Characterization of the chemical components of complex mixtures in solution is important in many areas of biochemistry and chemical biology, including metabolomics. The use of 2D NMR total correlation spectroscopy (TOCSY) experiments has proven very useful for the identification of known metabolites as well as for the characterization of metabolites that are unknown by taking advantage of the good resolution and high sensitivity of this homonuclear...
nmrlearner
Journal club
0
06-01-2017 03:02 PM
[NMR paper] A Non-Invasive NMR Method Based on Histidine Imidazoles to Analyze the pH-Modulation of Protein-Nucleic Acid Interfaces.
A Non-Invasive NMR Method Based on Histidine Imidazoles to Analyze the pH-Modulation of Protein-Nucleic Acid Interfaces.
Related Articles A Non-Invasive NMR Method Based on Histidine Imidazoles to Analyze the pH-Modulation of Protein-Nucleic Acid Interfaces.
Chemistry. 2015 Apr 1;
Authors: Cruz-Gallardo I, Del Conte R, Velázquez-Campoy A, García-Mauriño SM, Díaz-Moreno I
Abstract
A useful (2) J(N?H) coupling-based NMR spectroscopic approach is proposed to unveil, at the molecular level, the contribution of the imidazole groups of...
nmrlearner
Journal club
0
04-09-2015 03:47 AM
Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data
Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data
Abstract
NMR is a unique methodology for obtaining information about the conformational dynamics of proteins in heterogeneous biomolecular systems. In various NMR methods, such as transferred cross-saturation, relaxation dispersion, and paramagnetic relaxation enhancement experiments, fast determination of the signal intensity ratios in the NMR spectra with high accuracy is required for analyses of targets with low yields and stabilities. However,...
nmrlearner
Journal club
0
02-14-2015 03:52 PM
[NMR paper] Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
Related Articles Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
J Biomol NMR. 2015 Feb 13;
Authors: Ueda T, Yoshiura C, Matsumoto M, Kofuku Y, Okude J, Kondo K, Shiraishi Y, Takeuchi K, Shimada I
Abstract
NMR is a unique methodology for obtaining information about the conformational dynamics of proteins in heterogeneous biomolecular systems. In various NMR methods, such as...
Chemists develop reversible method of tagging proteins - Eureka! Science News
Chemists develop reversible method of tagging proteins - Eureka! Science News
<img alt="" height="1" width="1" />
Chemists develop reversible method of tagging proteins
Eureka! Science News
Subsequent reattachment of a fatty acid analogue reconstituted the protein complex to its natural state. By repeating the process again and again, while examining the molecular changes in the fatty acid with nuclear magnetic spectroscopy, or NMR ...
and more »
Read here
New machine learning method to analyze complex scientific data of proteins: Method allows faster and more accurate data analysis from NMR spectrometers - Science Daily
Linear Mode
