Difference between revisions of "NS R1rho 2-site"
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This is the numerical model for 2-site exchange using 3D magnetisation vectors. | This is the numerical model for 2-site exchange using 3D magnetisation vectors. | ||
It is selected by setting the model to '''NS R1rho 2-site'''. | It is selected by setting the model to '''NS R1rho 2-site'''. | ||
| − | The simple constraint {$ | + | The simple constraint {$pA > pB$} is used to halve the optimisation space, as both sides of the limit are mirror image spaces. |
== Parameters == | == Parameters == | ||
Revision as of 10:14, 5 March 2014
The relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for 2-site exchange for R1rho-type data. This model is labelled as NS R1rho 2-site in relax.
Contents
Equation
This is the numerical model for 2-site exchange using 3D magnetisation vectors. It is selected by setting the model to NS R1rho 2-site. The simple constraint {$pA > pB$} is used to halve the optimisation space, as both sides of the limit are mirror image spaces.
Parameters
The NS R1rho 2-site model has the parameters {$R_{1\rho}'$, $...$, $p_A$, $\Delta\omega$, $k_{ex}$}.
Reference
The reference for the NS R1rho 2-site model is:
- Korzhnev, D. M., Orekhov, V. Y., and Kay, L. E. (2005). Off-resonance R(1rho) NMR studies of exchange dynamics in proteins with low spin-lock fields: an application to a Fyn SH3 domain. J. Am. Chem. Soc., 127(2), 713-721. (10.1021/ja0446855).
Links
The implementation of the NS R1rho 2-site model in relax can be seen in the:
