[NMR paper] nightshift: A Python program for plotting simulated NMR spectra from assigned chemical shifts from the Biological Magnetic Resonance Data Bank
Nuclear magnetic resonance (NMR) provides site specific information on local environments through chemical shifts. NMR is widely used in the study of proteins, ranging from determination of three-dimensional structures to characterizing dynamics and binding of small molecules and other proteins or ligands. Assigned chemical shift data for the atoms within proteins is a treasure trove of information that can facilitate a broad range of biochemical and biophysical studies. The Biological Magnetic...
nightshift: A Python program for plotting simulated NMR spectra from assigned chemical shifts from the Biological Magnetic Resonance Data Bank
nightshift: A Python program for plotting simulated NMR spectra from assigned chemical shifts from the Biological Magnetic Resonance Data Bank
Abstract
Nuclear magnetic resonance (NMR) provides site specific information on local environments through chemical shifts. NMR is widely used in the study of proteins, ranging from determination of three-dimensional structures to characterizing dynamics and binding of small molecules and other proteins or ligands. Assigned chemical shift data for the atoms within proteins is a treasure trove of information that can facilitate a broad range of...
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09-14-2021 12:38 AM
Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data
Farseer-NMR: automatic treatment, analysis and plotting of large, multi-variable NMR data
Abstract
We present Farseer-NMRÂ*(https://git.io/vAueU), a software package to treat, evaluate and combine NMR spectroscopic data from sets of protein-derived peaklists covering a range of experimental conditions. The combined advances in NMR and molecular biology enable the study of complex biomolecular systems such as flexible proteins or large multibody complexes, which display a strong and functionally relevant response to their environmental conditions, e.g....
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05-12-2018 02:10 AM
[NMR paper] EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data.
EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--production.springer.de-OnlineResources-Logos-springerlink.gif Related Articles EZ-ASSIGN, a program for exhaustive NMR chemical shift assignments of large proteins from complete or incomplete triple-resonance data.
J Biomol NMR. 2013 Sep 11;
Authors: Zuiderweg ER, Bagai I, Rossi P, Bertelsen EB
Abstract
For several of the proteins...
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09-12-2013 11:02 PM
[NMR paper] NMRbot: Python scripts enable high-throughput data collection on current Bruker BioSpin NMR spectrometers.
NMRbot: Python scripts enable high-throughput data collection on current Bruker BioSpin NMR spectrometers.
Related Articles NMRbot: Python scripts enable high-throughput data collection on current Bruker BioSpin NMR spectrometers.
Metabolomics. 2013 Jun;9(3):558-563
Authors: Clos LJ, Jofre MF, Ellinger JJ, Westler WM, Markley JL
Abstract
To facilitate the high-throughput acquisition of nuclear magnetic resonance (NMR) experimental data on large sets of samples, we have developed a simple and straightforward automated methodology that...
[Question from NMRWiki Q&A forum] Spectra from BMRB Chemical shifts
Spectra from BMRB Chemical shifts
Is it possible to generate a spectrum from BMRB chemical shifts?
I want to generate a spectrum to use as a reference for an H1-N15 HSQC experiment.
Check if somebody has answered this question on NMRWiki QA forum
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11-04-2011 03:17 AM
[NMR images] Chemical Shifts in NMR Spectra
http://hyperphysics.phy-astr.gsu.edu/hbase/nuclear/imgnuc/cshift.gif
hyperphysics.phy-astr.gsu.edu
5/07/2011 6:04:05 PM GMT
Chemical Shifts in NMR Spectra
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07-26-2011 11:22 PM
Rapid, Accurate and Simple Model to Predict NMR Chemical Shifts for Biological Molecu
Rapid, Accurate and Simple Model to Predict NMR Chemical Shifts for Biological Molecules.
Rapid, Accurate and Simple Model to Predict NMR Chemical Shifts for Biological Molecules.
J Phys Chem B. 2010 Nov 18;
Authors: Atieh Z, Aubert-Fre?con M, Allouche AR
We present a new model to predict chemical shifts for biological molecules. It is simple, fast, and involves a limited number of parameters. It is particularly adapted to be used in molecular dynamics studies with a molecular mechanic potential. We test the model for polyamines, which are rather...
nightshift: A Python program for plotting simulated NMR spectra from assigned chemical shifts from the Biological Magnetic Resonance Data Bank
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