Trusted, Bureaucrats
4,228
edits
Changes
Edit of the Morin et al., 2014 reference (DOI [http://dx.doi.org/10.1093/bioinformatics/btu166 10.1093/bioinformatics/btu166]).
<onlyinclude>
After four years of development by numerous NMR spectroscopists, the relaxation dispersion analysis in relax is finally ready for release [Morin et al., 2014]! This support is complete and includes almost all analytic and numeric dispersion models in existence. These have been labelled as [[R2eff]], [[No Rex]], [[LM63]] [Luz and Meiboom 1963], [[LM63 3-site]] [Luz and Meiboom 1963], [[CR72]] [Carver and Richards 1972], [[IT99]] [Ishima and Torchia 1999], [[TSMFK01]] [Tollinger et al., 2001], [[NS CPMG 2-site expanded]], [[NS CPMG 2-site 3D]], [[NS CPMG 2-site star]], [[M61]] [Meiboom 1961], [[DPL94]] [Davis et al., 1994], [[TP02]] [Trott and Palmer 2002], [[TAP03]] [Trott et al., 2003], [[MP05]] [Miloushev and Palmer 2005], [[NS R1rho 2-site]], [[MQ CR72]], and [[MMQ 2-site]], mainly named after the authors and publication date. It includes support for single, zero, double, and multiple quantum CPMG data, including combined proton-heteronuclear data, and off-resonance R<sub>1ρ</sub> data. An automated protocol has been developed to simplify the analysis and a GUI has been designed around this auto-analysis. Calculations have been [[OpenMPI|parallelised]] at the spin cluster and Monte Carlo simulation level for speed.
</onlyinclude>
* [*Meiboom 1961] Meiboom, S. (1961). Nuclear magnetic resonance study of proton transfer in water. ''J. Chem. Phys.'', '''34'''(2), 375-388. (DOI [http://dx.doi.org/10.1063/1.1700960 10.1063/1.1700960]).
* [*Miloushev and Palmer 2005] Miloushev, V. Z. and Palmer, 3rd, A. G. (2005). R(1rho) relaxation for two-site chemical exchange: general approximations and some exact solutions. ''J. Magn. Reson.'', '''177'''(2), 221-227. (DOI [http://dx.doi.org/10.1016/j.jmr.2005.07.023 10.1016/j.jmr.2005.07.023]).
* [*Morin et al., 2014] Morin, S., Linnet, T. E., Lescanne, M., Schanda, P., Thompson, G. S., Tollinger, M., Teilum, K., Gagne, S., Marion, D., Griesinger, C., Blackledge, M., and d'Auvergne, E. J. (2014). relax: the analysis of biomolecular kinetics and thermodynamics using NMR relaxation dispersion data. ''Bioinformatics'', '''30'''(15), 2219-2220. (DOI [http://dx.doi.org/10.1093/bioinformatics/btu166 10.1093/bioinformatics/btu166]).
* [*Tollinger et al., 2001] Tollinger, M., Skrynnikov, N. R., Mulder, F. A. A., Forman-Kay, J. D., and Kay, L. E. (2001). Slow dynamics in folded and unfolded states of an sh3 domain. ''J. Am. Chem. Soc.'', '''123'''(46), 11341-11352. (DOI [http://dx.doi.org/10.1021/ja011300z 10.1021/ja011300z]).
* [*Trott and Palmer 2002] Trott, O. and Palmer, 3rd, A. G. (2002). R1rho relaxation outside of the fast-exchange limit. ''J. Magn. Reson.'', '''154'''(1), 157-160. (DOI [http://dx.doi.org/10.1006/jmre.2001.2466 10.1006/jmre.2001.2466]).