[NMR analysis blog] Alignment of NMR spectra Part IV: Advanced Alignment
Alignment of NMR spectra Part IV: Advanced Alignment
Previous posts on this series:
Alignment of NMR spectra Part I: The problem
Alignment of NMR spectra Part II: Binning / Bucketing
Alignment of NMR spectra Part III: Global Alignment
As I mentioned in my previous post, simple alignment based on shifting or referencing the whole spectrum is not enough in cases where there are different local chemical shift fluctuations.
Resorting back to the synthetic data set used in the previous posts, let me introduce a semi-automatic method designed specifically to align spectra having...
nmrlearner
News from NMR blogs
0
02-07-2011 07:53 PM
[NMR analysis blog] Alignment of NMR spectra Part III: Global Alignment
Alignment of NMR spectra Part III: Global Alignment
Previous posts on this series:
Alignment of NMR spectra Part I: The problem
Alignment of NMR spectra Part II: Binning / Bucketing
We have seen that binning helps in minimizing, for example, the effect of pH-induced fluctuations in chemical shift so that, in the field of NMR-based metabonomics studies, ensuring that signals for a given metabolite appear at the same location in all spectra. One evident disadvantage of binning is that it greatly reduces the spectral resolution (e.g. in a 500 MHz instrument, a typical 64 Kb...
nmrlearner
News from NMR blogs
0
02-03-2011 06:51 PM
[NMR paper] Correlation between drug release kinetics from proteineous matrix and matrix structur
Correlation between drug release kinetics from proteineous matrix and matrix structure: EPR and NMR study.
Related Articles Correlation between drug release kinetics from proteineous matrix and matrix structure: EPR and NMR study.
J Pharm Sci. 2000 Mar;89(3):365-81
Authors: Katzhendler I, Mδder K, Friedman M
The present study was conducted in order to probe the microstructure, microviscosity, and hydration properties of matrices containing two model drugs, naproxen sodium (NS) and naproxen (N), and egg albumin (EA) as matrix carrier. The...
nmrlearner
Journal club
0
11-18-2010 09:15 PM
CABS-NMR-De novo tool for rapid global fold determination from chemical shifts, resid
CABS-NMR-De novo tool for rapid global fold determination from chemical shifts, residual dipolar couplings and sparse methyl-methyl noes.
CABS-NMR-De novo tool for rapid global fold determination from chemical shifts, residual dipolar couplings and sparse methyl-methyl noes.
J Comput Chem. 2010 Aug 30;
Authors: Latek D, Kolinski A
Recent development of nuclear magnetic resonance (NMR) techniques provided new types of structural restraints that can be successfully used in fast and low-cost global protein fold determination. Here, we present...
nmrlearner
Journal club
0
09-02-2010 03:58 PM
NMR Technician at Matrix Information Consulting (La Jolla, CA)
NMR Technician at Matrix Information Consulting (La Jolla, CA)
is for a skilled NMR (Nuclear Magnetic Resonance) scientist to help with site NMR moves. Candidate must have ... experience) in small molecule structure elucidation using NMR/Mass Spectroscopy Expertise with Bruker Varian NMR...
More...
nmrlearner
Job marketplace
0
08-29-2010 08:46 PM
[NMR paper] Comparison of the NMR and X-ray structures of the HIV-1 matrix protein: evidence for
Comparison of the NMR and X-ray structures of the HIV-1 matrix protein: evidence for conformational changes during viral assembly.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_FREE_120x27.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles Comparison of the NMR and X-ray structures of the HIV-1 matrix protein: evidence for conformational changes during viral assembly.
Protein Sci. 1996...