Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by X-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies or to differences in the behavior of proteins in solution versus in the crystalline state. Here, we compare the properties of the hydrophobic cores of high-resolution protein crystal structures and those in NMR structures,...
Core packing of well-defined X-ray and NMR structures is the same
Core packing of well-defined X-ray and NMR structures is the same
Abstract
Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by X-ray crystallography. A fundamental question is whether any observed differences are due to differing methodologies or to differences in the behavior of proteins in solution versus in the crystalline state. Here, we compare the properties of the hydrophobic cores of high-resolution protein crystal structures and those in NMR structures, determined using...
Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles #DNPNMR
From The DNP-NMR Blog:
Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles #DNPNMR
Schäfer, Timmy, Steffen Vowinkel, Hergen Breitzke, Markus Gallei, and Torsten Gutmann. “Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles.” The Journal of Physical Chemistry C 123, no. 1 (January 10, 2019): 644–52.
https://doi.org/10.1021/acs.jpcc.8b07969.
[NMR paper] A 1H NMR comparative study of the structure of the critical packing interfaces betwee
A 1H NMR comparative study of the structure of the critical packing interfaces between helix and non-helical region in various ligation states of sperm whale myoglobin.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles A 1H NMR comparative study of the structure of the critical packing interfaces between helix and non-helical region in various ligation states of sperm whale myoglobin.
Biochim Biophys Acta. 1997 Nov 14;1343(1):59-66
Authors: Yamamoto Y
NMR signals arising...
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08-22-2010 05:08 PM
[NMR paper] Validation of NMR side-chain conformations by packing calculations.
Validation of NMR side-chain conformations by packing calculations.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www3.interscience.wiley.com-aboutus-images-wiley_interscience_pubmed_logo_120x27.gif Related Articles Validation of NMR side-chain conformations by packing calculations.
Proteins. 1999 May 1;35(2):184-94
Authors: Chung SY, Subbiah S
The precision and accuracy of protein structures determined by nuclear magnetic resonance (NMR) spectroscopy depend on the completeness of input experimental data set. Typically, rather than a...
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08-21-2010 04:03 PM
Installation of GROMACS 3.3.1 on Dell Inspiron 6400 with Fedora Core 6, Test 3, Dual Core processor
This is not really a "hard-core NMR topic" but it could be useful for people who try to complement dynamics data from NMR relaxation experiments with MD simulations.
I had really hard time trying to install the newer versions of Gromacs 3.3 and 3.3.1 on my laptop (Dell Inspiron 6400 Dual Core processor) . The laptop used to run Suse 10.1 that was recently replaced with Fedora Core 6 Test 3 (that finally supports Intel integrated mobile 945 video cards). With both OS, Gromacs 3.3.x could be installed, however, its sub-program "genion" failed (the program never ends while consuming 100%...
Core packing of well-defined X-ray and NMR structures is the same
Linear Mode
