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2000 Biocomputing 2001  
Recent work of our group concerning the use of anisotropic and reorientational collective motional models for spin-relaxation interpretation is briefly reviewed and a number of important aspects of collective  ...  Significant progress in NMR methodology for measuring spin-relaxation data at many different 15 N and 13 C sites in proteins demands new and increasingly sophisticated ways of data interpretation.  ...  Motions that can be studied by nuclear spin relaxation lie in the ns and sub-ns range, which includes processes that are of biological relevance.  ... 
doi:10.1142/9789814447362_0009 fatcat:h7ug5yrg25d2bkannb54lmbxtq

Characterization of Collective and Anisotropic Reorientational Protein Dynamics

S. F. Lienin, R. Brüschweiler
2000 Physical Review Letters  
that are spectroscopically observable via nuclear spin relaxation.  ...  Intramolecular reorientational dynamics of proteins are described in terms of reorientational quasiharmonic modes.  ...  For proteins in solution, nuclear magnetic resonance (NMR) relaxation of 13 C and 15 N nuclear spins is the major source of experimental information on dynamics reflecting reorientational motions of the  ... 
doi:10.1103/physrevlett.84.5439 pmid:10990963 fatcat:vw5gycaog5gy7cfh37phkizuqe


2000 Biocomputing 2001  
We are all aware that there has been a recent increase in emphasis in the importance of disorder and flexibility in protein function, but few of us are aware of the length of time these concepts have been  ...  In 1894 Fischer 1 wrote (as translated in 2 ) "To use a picture, I would like to say that enzyme and glucoside have to fit to each other like a lock and key in order to exert a chemical effect on each  ...  A computational approach to the study of protein flexibility is presented in the paper, "Collective Reorientational Motion and Nuclear Spin Relaxation in Proteins" by J.J. Prompers, S.F.  ... 
doi:10.1142/9789814447362_0007 fatcat:jgsjkclzkbeezco72ndensznca

New approaches to the dynamic interpretation and prediction of NMR relaxation data from proteins

R Brüschweiler
2003 Current Opinion in Structural Biology  
Recent methodological advances in the interpretation of relaxation data have led to a better understanding of the overall tumbling behavior, the separability of internal and overall motions, and the presence  ...  of correlated dynamics between different nuclear sites, as well as to new insights into the relationship between reorientational dynamics and primary and tertiary protein structure.  ...  spin relaxation in ellipsoids undergoing rotational Brownian motion.  ... 
doi:10.1016/s0959-440x(03)00036-8 pmid:12727510 fatcat:inblvfbmkjburjjjm6273uztyu

Protein dynamics from nuclear magnetic relaxation

Cyril Charlier, Samuel F. Cousin, Fabien Ferrage
2016 Chemical Society Reviews  
Protein dynamics are explored by a variety of methods designed to measure nuclear magnetic relaxation rates.  ...  When the electron spin and the nuclear spin are close, motions lead to more reorientation than fluctuation of the distance.  ...  Timescales and populations As shown here, nuclear spin relaxation is sensitive to protein motions in many different ways over timescales ranging from tens of picoseconds to seconds.  ... 
doi:10.1039/c5cs00832h pmid:26932314 fatcat:2ejijgoyqvdldjn33xyzpigacy

A Functional Role for Correlated Motion in the N-terminal RNA-binding Domain of Human U1A Protein

Scott A. Showalter, Kathleen B. Hall
2002 Journal of Molecular Biology  
Interpretation of the novel RED results and corresponding NMR relaxation data suggests that the loss of collective motions in the mutants could account for their weak RNA-binding.  ...  The results reveal changes in the magnitude and extent of coupled intra-domain motions resulting from single amino acid substitutions.  ...  Acknowledgements We acknowledge John Jean for helpful discussion and Changguo Tang for assistance with the NMR spectrometers.  ... 
doi:10.1016/s0022-2836(02)00804-5 pmid:12225747 fatcat:tpyle3rw5ze4jjce46hszivoqy

Dynamical deductions from nuclear magnetic resonance relaxation measurements at the water-protein interface

R.G. Bryant, W.M. Shirley
1980 Biophysical Journal  
Nuclear magnetic resonance (NMR) measurements provide both structural and dynamical information about the molecules in which nuclear resonances are observed.  ...  This manuscript addresses NMR relaxation of water protons in protein powder systems.  ...  protein spin system itself is complicated by internal cross-relaxation or spin diffusion to methyl relaxation sinks (26) .  ... 
doi:10.1016/s0006-3495(80)84912-5 pmid:7248450 pmcid:PMC1327249 fatcat:7mxofj5xzna5beoftojemcwwfe

Global and Local Mobility of Apocalmodulin Monitored through Fast-Field Cycling Relaxometry

Valentina Borsi, Claudio Luchinat, Giacomo Parigi
2009 Biophysical Journal  
Such measurements provide direct access to the spectral density function and show that 1), the reorientation time is in agreement with a closed form of the protein; but 2), the collective order parameter  ...  The mobility of apoCaM is here investigated through protein proton relaxation rate measurements performed with a high-sensitivity fast-field cycling relaxometer.  ...  This work was supported by Ente Cassa di Risparmio di Firenze and by the European Commission (contracts Bio-DNP 011721 and EU-NMR 026145).  ... 
doi:10.1016/j.bpj.2009.07.005 pmid:19751682 pmcid:PMC2749786 fatcat:r4w5ddoqcngtnh3cnnetphsq7m

Hydration of the oxygen-evolving complex of photosystem II probed in the dark-stable S1 state using proton NMR dispersion profiles

Guangye Han, Yang Huang, Faisal Hammad Mekky Koua, Jian-Ren Shen, Per-Olof Westlund, Johannes Messinger
2014 Physical Chemistry, Chemical Physics - PCCP  
the slow motion theories as being due to a paramagnetic enhanced relaxation (PRE) of water protons.  ...  In contrast, the slow motion theory gives a consistent picture indicating that the water molecules are in fast chemical exchange with the bulk (t w o 1 ms).  ...  Acknowledgements The authors thank Tobias Sparrman and Dmitriy Shevela for technical support.  ... 
doi:10.1039/c3cp55232b pmid:24695863 fatcat:i6yrvq5xszhwzgsqzh2sjaamtq

Characterization of NMR relaxation-active motions of a partially folded A-state analogue of ubiquitin

J.J. Prompers, C. Scheurer, R. Brüschweiler
2001 Journal of Molecular Biology  
While for native ubiquitin, such motions have a more local character involving loops and the C-terminal end of the polypeptide chain, the A-state analogue shows highly collective motions in the nanosecond  ...  spin-relaxation parameters of partially folded systems.  ...  A new approach was applied here to the partially folded A-state of ubiquitin by characterizing the spin-relaxation active motions in terms of reorientational quasiharmonic modes.  ... 
doi:10.1006/jmbi.2000.4353 pmid:11162116 fatcat:zvdxbiac7vgn7ihhf5cvb42ppa

Dynamics in a protein-lipid complex: nuclear magnetic resonance measurements on the headgroup of cardiolipin when bound to cytochrome c

P.J. Spooner, A.A. Duralski, S.E. Rankin, T.J. Pinheiro, A. Watts
1993 Biophysical Journal  
Compared to the well-studied case of deuterons in fatty acyl chains of bilayer phosphatidylcholine, the motions determining the 2H spin transverse relaxation in the headgroup of bilayer cardiolipin were  ...  Deuterium and phosphorus nuclear magnetic resonance (NMR) has been used to investigate the dynamics of slow motional processes induced in bilayer cardiolipin upon binding with cytochrome c. 31 P NMR line  ...  Duralski and grants GR/E/56683, GR/E/69118, and GR/ F/54006) and by the Commission of the European Communities (grant B89000154).  ... 
doi:10.1016/s0006-3495(93)81048-8 pmid:8396450 pmcid:PMC1225705 fatcat:ziqsaemcynahrfmjjs4cbjcxay

Dynamics of phosphate head groups in biomembranes. Comprehensive analysis using phosphorus-31 nuclear magnetic resonance lineshape and relaxation time measurements

E.J. Dufourc, C. Mayer, J. Stohrer, G. Althoff, G. Kothe
1992 Biophysical Journal  
In case of longitudinal spin relaxation, T1z, the amount of dipolar coupling was evaluated by measuring the maximum nuclear Overhauser enhancement.  ...  time window, by three different motional classes, i.e., intramolecular, intermolecular and collective motions.  ...  This research was supported in part by the Alexander von Humboldt foundation and the French-German PROCOPE exchange program.  ... 
doi:10.1016/s0006-3495(92)81814-3 pmid:1540698 pmcid:PMC1260221 fatcat:m7ateuelc5bdxbw3lolpwdx3dm

Recent Advances in Solid-State Nuclear Magnetic Resonance Techniques to Quantify Biomolecular Dynamics

Eric D. Watt, Chad M. Rienstra
2013 Analytical Chemistry  
A major advantage of SSNMR is that a large range of sample conditions and types can be examined, including many that are not accessible to solution NMR methods, such as membrane proteins and fibrils in  ...  disease patients. 18 Such studies have opened up new avenues for exploration of fundamental biophysics and biochemistry, and yielded insights into clinically relevant events in membranes and aggregated  ...  to proteins in the solid state by combining fast MAS and deuteration in order to suppress the effects of motionally independent relaxation. 45 Lewandowski and coworkers used this technique to study  ... 
doi:10.1021/ac403956k pmid:24313950 pmcid:PMC3988533 fatcat:gf45tp4tvbecjctwtom2mvnmj4

Domain-elongation NMR spectroscopy yields new insights into RNA dynamics and adaptive recognition

Q. Zhang, H. M. Al-Hashimi
2009 RNA: A publication of the RNA Society  
Domain elongation, in concert with spin relaxation measurements, has allowed the detailed characterization of a hierarchical network of local and collective motional modes occurring at nanosecond timescale  ...  By simplifying the interpretation of nuclear magnetic resonance spin relaxation and residual dipolar couplings data, recent developments involving the elongation of RNA helices are providing new atomic  ...  However, internal motions can also contribute-albeit by a smaller amount-to the reorientation of C-H bond and thereby influence spin relaxation rates and RDCs.  ... 
doi:10.1261/rna.1806909 pmid:19776156 pmcid:PMC2764479 fatcat:b4og7kwabfcjxo4m2g5ctug7p4

Structural applications of nuclear spin-lattice relaxation times

D. M. Doddrell
1977 Pure and Applied Chemistry  
In this lecture I plan to review briefly and descriptively the theoretical basis of nuclear spin relaxation and discuss the applications of three spin relaxation mechanisms in structural chemistry.  ...  The use of spin-rotation relaxation to determine barriers to CH3 groups rotations and an example of quadrupole relaxation of deuteriums to probe molecular motion are discussed.  ...  reorientation causing spin relaxation.  ... 
doi:10.1351/pac197749091385 fatcat:opysb5dwrjajldx6husqjbzqv4
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