Computer Assisted Structure Elucidation (CASE) is a major challenge in and of itself. We've been working on this for many, many years and we continue to make huge strides in this area. The technology is sound, the software is being...
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New Book on Computer-Assisted Structure Elucidation
Source: Ryan's blog
New Book on Computer-Assisted Structure Elucidation
It's been a very long time since my last post. I apologize for that, but I can assure that my posting absence has not been due to lack of quality things to talk about. Hopefully this post will help me...
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nmrlearner
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02-15-2012 04:01 PM
New Book on Computer-Assisted Structure Elucidation
Source: Ryan's blog
New Book on Computer-Assisted Structure Elucidation
It's been a very long time since my last post. I apologize for that, but I can assure that my posting absence has not been due to lack of quality things to talk about. Hopefully this post will help me...
Read more...
nmrlearner
Books
0
02-15-2012 03:51 PM
Towards fully automated structure-based NMR resonance assignment of (15)n-labeled proteins from automatically picked peaks.
Towards fully automated structure-based NMR resonance assignment of (15)n-labeled proteins from automatically picked peaks.
Towards fully automated structure-based NMR resonance assignment of (15)n-labeled proteins from automatically picked peaks.
J Comput Biol. 2011 Mar;18(3):347-63
Authors: Jang R, Gao X, Li M
Abstract In NMR resonance assignment, an indispensable step in NMR protein studies, manually processed peaks from both N-labeled and C-labeled spectra are typically used as inputs. However, the use of homologous structures can allow...
nmrlearner
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03-10-2011 03:51 PM
Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems
Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems
Publication year: 2011
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 18 January 2011</br>
Michal, Leskes , Ümit, Akbey , Hartmut, Oschkinat , Barth-Jan, van Rossum , Shimon, Vega</br>
We present a Floquet theory approach for the analysis of homonuclear recoupling assisted by radio frequency (RF) irradiation of surrounding heteronuclear spins. This description covers a...
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01-19-2011 03:04 PM
Cover article in Structure
Cover article in Structure
DAXX protein, also known as a "death-associated factor", is an important player in many cell cycle processes. However the detailed molecular structure of this important protein has not been reported. In this cover article in Structure Lawrence McIntosh (UBC) and his team has discovered using NMR spectroscopy that the C-terminal half of DAXX is intrinsically disordered, whereas the N-terminal portion contains a well-folded helical bundle domain. This important work provides a structural foundation for understanding the diverse functions of DAXX.
E....
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12-08-2010 10:23 PM
[NMR paper] Protein structure elucidation from NMR proton densities.
Protein structure elucidation from NMR proton densities.
Related Articles Protein structure elucidation from NMR proton densities.
Proc Natl Acad Sci U S A. 2002 May 14;99(10):6713-8
Authors: Grishaev A, Llinas M
The NMR-generated foc proton density affords a template to which the molecule has to be fitted to derive the structure. Here we present a computational protocol that achieves this goal. H(N) atoms are readily recognizable from (1)H/(2)H exchange or (1)H/(15)N heteronuclear single quantum correlation (HSQC) experiments. The primary...
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11-24-2010 08:49 PM
Fully automated high-quality NMR structure determination of small (2)H-enriched prote
Fully automated high-quality NMR structure determination of small (2)H-enriched proteins.
Related Articles Fully automated high-quality NMR structure determination of small (2)H-enriched proteins.
J Struct Funct Genomics. 2010 Aug 24;
Authors: Tang Y, Schneider WM, Shen Y, Raman S, Inouye M, Baker D, Roth MJ, Montelione GT
Determination of high-quality small protein structures by nuclear magnetic resonance (NMR) methods generally requires acquisition and analysis of an extensive set of structural constraints. The process generally demands...
Is There Hope for Fully Automated Structure Elucidation?- New Article Published
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