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BioNMR

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» NMR Jobs
Professor or Associate Professor in Biological NMR Spetroscopy at Aarhus University (874792) \|... by nmrlearner
Principal Analytical Chemist \| Calhoun Vision, Inc. by nmrlearner
Assistant, Associate or Full Professor of Pharmacognosy \| The University of Mississippi, School of... by nmrlearner

» Cool papers
Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based... by nmrlearner
The COVID19-NMR Consortium: A Public Report on the Impact of this New Global Collaboration by nmrlearner
Conformational ensembles explain NMR spectra of frozen intrinsically disordered proteins by nmrlearner

» NMR books
Solid State Properties of Pharmaceutical Materials by nmrlearner
NMR Data Interpretation Explained: Understanding 1D and 2D NMR Spectra of Organic Compounds and... by nmrlearner
Guide to Fluorine NMR for Organic Chemists, 2nd Edition by nmrlearner

» NMR theses
A Pulse NMR Trilogy: Anomalies, Anisotropies, and Adsorption by nmrlearner
NMR imaging of solids with multiple-pulse line narrowing and radiofrequency gradients by nmrlearner
Metabolic engineering applications of in vivo [superscript 31]P and [superscript 13]C NMR studies... by nmrlearner

» NMR blogs
New blog site by nmrlearner
EasySpin Academy (online), Oct 13-15, 2020 by nmrlearner
A compact X-Band ODNP spectrometer towards hyperpolarized 1H spectroscopy #DNPNMR #ODNP by nmrlearner

» NMR news
Revisiting Structure- function relationships of protein on the Birth ... - Odisha Diary by nmrlearner
1H Nuclear Magnetic Resonance Spectroscopy-Based Methods for the Quantification of Proteins in... by nmrlearner
Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of... by nmrlearner

» NMR tweets
NMR tweet Hyperpolarized diamond nuclei increase NMR/MRI sensitivity: Today?s nuclear magnetic... by nmrlearner
Hyperpolarized diamond nuclei increase NMR/MRI sensitivity: Today?s nuclear magnetic resonance... by nmrlearner
iNMR enables you to process and visualize Nuclear Magnetic Resonance spectra. Have you been longing... by nmrlearner

» NMR videos
Jack Vale Interview \| NMR Feature by nmrlearner
NMR Made Easy! Part 6A - NMR to Molecule Structure - Organic Chemistry by nmrlearner
Another introduction to proton NMR (9) by nmrlearner

» NMR pictures
butanone by nmrlearner
... temporal lobe epilepsy: a 1 H magnetic resonance spectroscopy study by nmrlearner
Figure 12. Closed field magnetic resonance imaging machine [16]. by nmrlearner

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[NMR paper] Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing
Mar 22, 2023 - 3:10 PM - by nmrlearner
Robust automated backbone triple resonance NMR assignments of proteins using Bayesian-based simulated annealing Assignment of resonances of nuclear magnetic resonance (NMR) spectra to specific atoms within a protein remains a labor-intensive and challenging task. Automation of the assignment process often remains a bottleneck in the exploitation of solution NMR spectroscopy for the study of protein structure-dynamics-function relationships. We present an approach to the assignment of backbone triple resonance spectra of proteins. A Bayesian statistical analysis of predicted and observed chemical shifts is... More...
0 Replies \| 14 Views

Revisiting Structure- function relationships of protein on the Birth ... - Odisha Diary
Mar 21, 2023 - 11:57 AM - by nmrlearner
Revisiting Structure- function relationships of protein on the Birth ... - Odisha Diary Revisiting Structure- function relationships of protein on the Birth ... Odisha Diary Read here
0 Replies \| 17 Views

[NMR paper] The COVID19-NMR Consortium: A Public Report on the Impact of this New Global Collaboration
Mar 21, 2023 - 11:57 AM - by nmrlearner
The COVID19-NMR Consortium: A Public Report on the Impact of this New Global Collaboration Angewandte Chemie International Edition, Volume 62, Issue 14, March 27, 2023. More...
0 Replies \| 89 Views

1H Nuclear Magnetic Resonance Spectroscopy-Based Methods for the Quantification of Proteins in Urine - American Chemical Society
Mar 20, 2023 - 3:27 AM - by nmrlearner
1H Nuclear Magnetic Resonance Spectroscopy-Based Methods for the Quantification of Proteins in Urine American Chemical Society 1H Nuclear Magnetic Resonance Spectroscopy-Based Methods for the Quantification of Proteins in Urine - American Chemical Society More...
0 Replies \| 30 Views

Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of Genetically ... - American Chemical Society
Mar 18, 2023 - 11:29 AM - by nmrlearner
Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of Genetically ... American Chemical Society Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of Genetically ... - American Chemical Society More...
0 Replies \| 38 Views

Conformational ensembles explain NMR spectra of frozen intrinsically disordered proteins
Mar 18, 2023 - 11:29 AM - by nmrlearner
Conformational ensembles explain NMR spectra of frozen intrinsically disordered proteins Abstract Protein regions, which are intrinsically disordered, exist as an ensemble of rapidly interconverting structures. Cooling proteins to cryogenic temperatures for DNP MAS NMR studies suspends most of the motions, resulting in peaks that are broad but not featureless. To demonstrate that detailed conformational restraints can be retrieved from the peak shapes of frozen proteins alone, we developed and used a simulation framework to assign peak features to conformers in the ensemble. We validated our simulations by comparing them to spectra of ?-synuclein acquired under different experimental conditions. Our assignments of peaks to discrete dihedral angle populations suggest that structural constraints are attainable under cryogenic conditions. The ability to infer ensemble populations from peak shapes has important implications for DNP MAS NMR studies of proteins with regions of disorder in living cells because chemical shifts are the most accessible measured parameter. More...
0 Replies \| 212 Views

[NMR paper] Conformational ensembles explain NMR spectra of frozen intrinsically disordered proteins
Mar 18, 2023 - 11:29 AM - by nmrlearner
Conformational ensembles explain NMR spectra of frozen intrinsically disordered proteins Protein regions, which are intrinsically disordered, exist as an ensemble of rapidly interconverting structures. Cooling proteins to cryogenic temperatures for DNP MAS NMR studies suspends most of the motions, resulting in peaks that are broad but not featureless. To demonstrate that detailed conformational restraints can be retrieved from the peak shapes of frozen proteins alone, we developed and used a simulation framework to assign peak features to conformers in the ensemble. We validated our... More...
0 Replies \| 46 Views

[NMR paper] In Silico Modelling and NMR Characterization of Some Steroids from Strychnos innocua (Delile) Root Bark as Potential Antifungal Agents
Mar 17, 2023 - 2:25 PM - by nmrlearner
In Silico Modelling and NMR Characterization of Some Steroids from Strychnos innocua (Delile) Root Bark as Potential Antifungal Agents The root bark of Strychnos innocua has long been employed by traditional healers to treat a variety of ill health conditions including fungal infections. The objective of this study was to isolate, characterized and evaluate the antifungal potential (insilico model) of steroids from root bark of S. innocua. Conventional method of column chromatography was carried out on the ethyl acetate root bark extract of S. innocua, leading to the isolation of two steroids. On the basis of 1D NMR, 2D NMR,... More...
0 Replies \| 103 Views

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» BioNMR wiki
NMR job online resources by nmrlearner
List of Linux distributions that offer easy PyMol installation via a package manager by markber
Compiling and installing MolMol under Linux from Louic S. Vermeer blog by markber

» NMR discussion
Journal Highlight: 3D printed NMR spectra: From 1D and 2D acquisition to 3D visualization by nmrlearner
Golden probe: Opening the cluster by nmrlearner
Journal Highlight: Explosive emulsion characterisation using nuclear magnetic resonance by nmrlearner

» NMR conferences
PANIC 2018 - Practical Applications of NMR in Industry Conference by nmrlearner
Practical Applications of NMR in Industry Conference (PANIC) by nmrlearner
PANIC 2016 - Practical Applications of NMR in Industry Conference by nmrlearner

» NMR software
A source of RPMs for several NMR-related programs by nmrlearner
New File Added: GARANT by Chris. Bart.
Basics of Mathematica to Understand POMA by nmrlearner

» Pulse sequences
Pulse programs by sivanmr
Bruker GFT-NMR pulse programs from Dr. Gao website by nmrlearner
BMRB library of Bruker pulse sequences by nmrlearner

» NMR community
NMR Group of Gary Shaw at the University of Western Ontario by mrevingt
"Eureka moments" push U of A researcher to top publishing spot - The Gateway Online by nmrlearner
Prof. Konstantin Pervushin's NMR group by markber

» NMR presentations
Humans, aliens, and eHarmony or why there is no such thing as a free lunch in protein structure... by markber

» NMR web resources
NMR and MRI related tools and short programs by nmrlearner
Advanced NMR Spectroscopy by nmrlearner
Understanding NMR Spectroscopy - The Solutions and Figures by nmrlearner

» NMR feature requests
Are you interested in further development of PPT-DB: the protein property prediction and testing... by markber

» NMR bookmarks
Aldrich library of NMR spectra by nmrlearner
NMR spectra of polymers and polymer additives by nmrlearner
nmr basics by nmrlearner

» Stats
Members: 3,202 Threads: 24,940 Posts: 25,326 Top Poster: nmrlearner (22,384)
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