NS MMQ 3-site

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The 3-site relaxation dispersion model for the numeric solution (NS) to the Bloch-McConnell equations for MMQ CPMG-type data whereby the simplification R2A0 = R2B0 = R2C0 is assumed.


The NS MMQ 3-site model has the parameters {R20, ..., pA, pB, ΔωAB, ΔωBC, ΔωHAB, ΔωHBC, kexAB, kexBC, kexAC}.


The references for the NS MMQ 3-site model are:

  • Korzhnev, D. M., Kloiber, K., Kanelis, V., Tugarinov, V., and Kay, L. E. (2004). Probing slow dynamics in high molecular weight proteins by methyl-TROSY NMR spectroscopy: application to a 723-residue enzyme. J. Am. Chem. Soc., 126(12), 3964-3973. (DOI: 10.1021/ja039587i)
  • Korzhnev, D. M., Kloiber, K., and Kay, L. E. (2004). Multiple-quantum relaxation dispersion NMR spectroscopy probing millisecond time-scale dynamics in proteins: theory and application. J. Am. Chem. Soc., 126(23), 7320-7329. (DOI: 10.1021/ja049968b)
  • Korzhnev, D. M., Neudecker, P., Mittermaier, A., Orekhov, V. Y., and Kay, L. E. (2005). Multiple-site exchange in proteins studied with a suite of six NMR relaxation dispersion experiments: an application to the folding of a Fyn SH3 domain mutant. J. Am. Chem. Soc., 127(44), 15602-15611. (DOI: 10.1021/ja054550e)


The implementation of the NS MMQ 3-site model in relax can be seen in the:

See also