Journal Highlight: Automatic assignment of 1H-NMR spectra of small molecules
Journal Highlight: Automatic assignment of 1H-NMR spectra of small molecules
http://www.spectroscopynow.com/common/images/thumbnails/1426b18dc06.jpgA novel data-evaluation procedure for the automatic atom to peak or multiplet assignment of 1H-NMR spectra of small molecules has been developed using a fast and robust expert system.
Read the rest at Spectroscopynow.com
nmrlearner
General
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11-18-2013 10:42 PM
MRC Special Issue on NMR of small molecules in anisotropic media
MRC Special Issue on NMR of small molecules in anisotropic media
http://www.spectroscopynow.com/common/images/thumbnails/13c3df44525.jpgWithin this supplement issue of the international journal, Magnetic Resonance in Chemistry, experts publish their new NMR methodologies for the analysis of small organic molecules oriented in weak alignment media. An emerging field with room for new discoveries and developments, readers will be inspired to bring this knowledge into their everyday work.
Source: Spectroscopynow.com
nmrlearner
General
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02-03-2013 08:49 AM
[Question from NMRWiki Q&A forum] Auto assignment of N15 C13 EDIT noesy experments
Auto assignment of N15 C13 EDIT noesy experments
Dear NMR wikiers
could you please suggest any auto assignment web servers online to assign N-15 & C13- EDIT NOESY experiments data?
Thanking you
nmrlearner
News from other NMR forums
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09-29-2011 07:27 AM
[Question from NMRWiki Q&A forum] software for 1D-2D spectra assignment for small molecules
software for 1D-2D spectra assignment for small molecules
Please advice good software for 1D and 2D spectra assignment and structure elucidation,for small organic molecules.I'm really tired of doing these assignments on printed-out spectra with color pencils.
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
News from other NMR forums
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05-23-2011 09:56 PM
Small molecules against Ebola: NMR reveals drug leads
Small molecules against Ebola: NMR reveals drug leads
There is neither vaccine nor cure for the Ebola virus, which causes fatal haemorrhagic fever in humans. However, a new NMR spectroscopic study by US researchers scientists has led to the discovery of a family of small molecules that apparently bind to the outer protein coat of the virus and halt its entry into human cells, so offering the possibility of an antiviral medication against the disease.
Source: Spectroscopynow.com
nmrlearner
General
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02-15-2011 09:12 AM
Small molecules may prevent ebola infection - PhysOrg.com
<img alt="" height="1" width="1" />
Small molecules may prevent ebola infection
PhysOrg.com
Exactly how and where these small molecules bind to the virus's protein coat is now being determined through nuclear magnetic resonance spectroscopy, ...
and more »
Small molecules may prevent ebola infection - PhysOrg.com
More...
nmrlearner
Online News
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01-20-2011 03:28 AM
PASD: auto NOE assignment & structure calculation
Completely Automated, Highly Error-Tolerant Macromolecular Structure Determination from Multidimensional Nuclear Overhauser Enhancement Spectra and Chemical Shift Assignments
Kuszewski, J.; Schwieters, C. D.; Garrett, D. S.; Byrd, R. A.; Tjandra, N.; Clore, G. M.;
J. Am. Chem. Soc. 2004; 126(20); 6258-6273
http://pubs.acs.org/isubscribe/journals/jacsat/126/i20/figures/ja049786hn00001.gif
Abstract:
The major rate-limiting step in high-throughput NMR protein structure determination involves the calculation of a reliable initial fold, the elimination of incorrect nuclear Overhauser...
An Expert System for the Auto Assignment of 1H NMR Spectra of Small Molecules
Linear Mode
