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Protein Dynamics from NMR Spectroscopy and MD Simulation
Protein Dynamics from NMR Spectroscopy and MD Simulation
29 January 2013
Publication year: 2013
Source:Biophysical Journal, Volume 104, Issue 2, Supplement 1</br>
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nmrlearner
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02-03-2013 10:13 AM
Biomolecular structure refinement using the GROMOS simulation software
Biomolecular structure refinement using the GROMOS simulation software
Abstract For the understanding of cellular processes the molecular structure of biomolecules has to be accurately determined. Initial models can be significantly improved by structure refinement techniques. Here, we present the refinement methods and analysis techniques implemented in the GROMOS software for biomolecular simulation. The methodology and some implementation details of the computation of NMR NOE data, 3 J-couplings and residual dipolar couplings, X-ray scattering intensities from crystals and solutions...
nmrlearner
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08-25-2011 07:03 AM
[NMR paper] 2D solid state NMR spectral simulation of 3(10), alpha, and pi-helices.
2D solid state NMR spectral simulation of 3(10), alpha, and pi-helices.
Related Articles 2D solid state NMR spectral simulation of 3(10), alpha, and pi-helices.
J Magn Reson. 2004 Jun;168(2):187-93
Authors: Kim S, Cross TA
Transmembrane helices are more uniform in structure than similar helices in water soluble proteins. Solid state NMR of aligned bilayer samples is being increasingly used to characterize helical membrane protein structures. Traditional spectroscopic methods have difficulty distinguishing between helices with i to i + 3...
nmrlearner
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11-24-2010 09:51 PM
Binding Kd calculation and simulation from NMR data
http://structbio.vanderbilt.edu/chazin/rpa_cell.jpg
If you go to this page on Prof. Chazin website, you will find explanation how to calculate Kd from NMR titration and a program to simulate Kd and estimate its error.