Related ArticlesAn analytical solution to the problem of the orientation of rigid particles by planar obstacles. Application to membrane systems and to the calculation of dipolar couplings in protein NMR spectroscopy.
J Am Chem Soc. 2001 Dec 5;123(48):12037-47
Authors: Fernandes MX, Bernadó P, Pons M, García de la Torre J
Nonspherical particles or molecules experience an ordering effect in the presence of obstacles due to the restrictions they place on the orientation of those molecules that are in their proximity. Obstacles may be the limits of a membrane in which the molecule is embedded, oriented mesoscopic systems such as bicelles, or membrane fragments used to induce weak protein alignment in a magnetic field. The overall shape of most proteins can be described to a good approximation by an ellipsoidal particle. Here we describe and solve analytically the problem of the orientation of ellipsoidal particles by planar obstacles. Simple expressions are derived for the orientational distribution function and the order parameter. These expressions allow the analytical calculation of the residual dipolar couplings for a protein of known three-dimensional structure oriented by steric effects. The results are in good agreement with experiment and with the results of previously described simulations. However, they are obtained analytically in a fraction of the time and therefore open the possibility to include the optimization of the overall shape in the determination of three-dimensional structures using residual dipolar coupling constraints. The equations derived are general and can also be applied to problems of a completely different nature. In particular, previous equations describing the orientation of particles embedded in membranes are verified and generalized here.
solution to a basic nmr problem, practice problem 3
solution to a basic nmr problem, practice problem 3
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solution to a basic nmr problem, practice problem 3
The solution to a good, basic practice nmr and IR problem at Bryn Mawr College by M Nerz
From: mnerzsto
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09-14-2011 09:34 PM
Industrial Postdoctoral Chemist( analytical, organic or polymer) | Avomeen Analytical Services
Industrial Postdoctoral Chemist( analytical, organic or polymer) | Avomeen Analytical Services
US - Ann Arbor Michigan, Ph.D. in Analytical, organic or polymer chemistry. Hands-on knowledge of following techniques Analytical instrumentation is preferred: FT-IR, NMR, GC, GC-MS, LC-MS, TGA, DSC, ICP, and SEM-EDS. Must be
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12-19-2010 01:50 AM
[NMR paper] Optimizing oriented planar-supported lipid samples for solid-state protein NMR.
Optimizing oriented planar-supported lipid samples for solid-state protein NMR.
Related Articles Optimizing oriented planar-supported lipid samples for solid-state protein NMR.
Biophys J. 2005 Oct;89(4):2792-805
Authors: Rainey JK, Sykes BD
Sample orientation relative to the static magnetic field of an NMR spectrometer allows study of membrane proteins in the lipid bilayer setting. The straightforward preparation and handling of extremely thin mica substrates with consistent surface properties has prompted us to examine oriented phospholipid...
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12-01-2010 06:56 PM
[CNS Yahoo group] keep rigid ligands
keep rigid ligands
dear all, i am calculating a NMR structure of a protein complexed with two small ligands. I am not able to keep the right conformation of the rings of my
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11-30-2010 08:14 PM
[NMR paper] NMR solution structure and topological orientation of monomeric phospholamban in dode
NMR solution structure and topological orientation of monomeric phospholamban in dodecylphosphocholine micelles.
Related Articles NMR solution structure and topological orientation of monomeric phospholamban in dodecylphosphocholine micelles.
Biophys J. 2003 Oct;85(4):2589-98
Authors: Zamoon J, Mascioni A, Thomas DD, Veglia G
Phospholamban is an integral membrane protein that regulates the contractility of cardiac muscle by maintaining cardiomyocyte calcium homeostasis. Abnormalities in association of protein kinase A with PLB have recently...
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[NMR paper] Structure of the coat protein in fd filamentous bacteriophage particles determined by
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Proc Natl Acad Sci U S A. 2003 May 27;100(11):6458-63
Authors: Zeri AC, Mesleh MF, Nevzorov AA, Opella SJ
The atomic resolution structure of fd coat protein determined by solid-state NMR spectroscopy of magnetically aligned filamentous bacteriophage particles differs from that previously determined...
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[NMR paper] Solution structure and orientation of the transmembrane anchor domain of the HIV-1-en
Solution structure and orientation of the transmembrane anchor domain of the HIV-1-encoded virus protein U by high-resolution and solid-state NMR spectroscopy.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles Solution structure and orientation of the transmembrane anchor domain of the HIV-1-encoded virus protein U by high-resolution and solid-state NMR spectroscopy.
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Authors: Wray V, Kinder R, Federau T, Henklein P, Bechinger B, Schubert U
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An analytical solution to the problem of the orientation of rigid particles by planar
Linear Mode
