Bayesian estimation of NMR restraint potential and weight: A validation on a representative set of protein structures.
Bayesian estimation of NMR restraint potential and weight: A validation on a representative set of protein structures.
Bayesian estimation of NMR restraint potential and weight: A validation on a representative set of protein structures.
Proteins. 2011 Jan 6;
Authors: Bernard A, Vranken WF, Bardiaux B, Nilges M, Malliavin TE
The classical procedure for nuclear magnetic resonance structure calculation allocates empirical distance ranges and uses historical values for weighting factors. However, Bayesian analysis suggests that there are more optimal...
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03-03-2011 12:34 PM
Toward a Structure Determination Method for Biomineral-Associated Protein Using Combined Solid- State NMR and Computational Structure Prediction.
Toward a Structure Determination Method for Biomineral-Associated Protein Using Combined Solid- State NMR and Computational Structure Prediction.
Related Articles Toward a Structure Determination Method for Biomineral-Associated Protein Using Combined Solid- State NMR and Computational Structure Prediction.
Structure. 2010 Dec 8;18(12):1678-1687
Authors: Masica DL, Ash JT, Ndao M, Drobny GP, Gray JJ
Protein-biomineral interactions are paramount to materials production in biology, including the mineral phase of hard tissue. Unfortunately, the...
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12-08-2010 06:21 PM
[NMR paper] NMR structure note--solution structure of a bacterial BolA-like protein XC975 from a
NMR structure note--solution structure of a bacterial BolA-like protein XC975 from a plant pathogen Xanthomonas campestris pv. campestris.
Related Articles NMR structure note--solution structure of a bacterial BolA-like protein XC975 from a plant pathogen Xanthomonas campestris pv. campestris.
J Biomol NMR. 2005 Feb;31(2):167-72
Authors: Chin KH, Lin FY, Hu YC, Sze KH, Lyu PC, Chou SH
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11-24-2010 11:14 PM
Molecular basis of photochromism of a fluorescent protein revealed by direct 13C dete
Molecular basis of photochromism of a fluorescent protein revealed by direct 13C detection under laser illumination
Abstract Dronpa is a green fluorescent protein homologue with a photochromic property. A green laser illumination reversibly converts Dronpa from a green-emissive bright state to a non-emissive dark state, and ultraviolet illumination converts it to the bright state. We have employed solution NMR to understand the underlying molecular mechanism of the photochromism. The detail characterization of Dronpa is hindered as it is metastable in the dark state and spontaneously...
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11-07-2010 02:47 PM
[Question from NMRWiki Q&A forum] How to convert Xplor distance restraint to Amber?
How to convert Xplor distance restraint to Amber?
HiI am wondering if anyone knows a way to convert Xplor distance_restraint files to Amber format (7 or 8 column).RegardsRaman
Check if somebody has answered this question on NMRWiki QA forum
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09-25-2010 07:47 AM
[NMR paper] Simulated annealing with restrained molecular dynamics using a flexible restraint pot
Simulated annealing with restrained molecular dynamics using a flexible restraint potential: theory and evaluation with simulated NMR constraints.
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 Simulated annealing with restrained molecular dynamics using a flexible restraint potential: theory and evaluation with simulated NMR constraints.
...
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08-22-2010 02:27 PM
[NMR paper] NMR restraint analysis of transforming growth factor alpha: a key component for NMR s
NMR restraint analysis of transforming growth factor alpha: a key component for NMR structure refinement.
Related Articles NMR restraint analysis of transforming growth factor alpha: a key component for NMR structure refinement.
Proteins. 1992 Aug;13(4):306-26
Authors: Brown FK, Hempel JC, Jeffs PW
Structures of the protein, transforming growth factor alpha (TGF-alpha), have been derived from NMR data using distance geometry and subsequent energy refinement. Analysis of the sequential NOE distance bounds using a template algorithm provides a...
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08-21-2010 11:45 PM
RDC refinement, via gyration tensor
Hi,
I am trying to find an alignment tensor for my RNA molecule.
This I want to do by calculating the gyration tensor, and derive the alignment tensor.
like in J. Biomol. NMR (2006) 35, pp. 103-115
problem is to do relatively simple manipulations in xplor
For example calculate the product of x-coordinate times y-coordinates of all atoms in the PDB file.