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Residual dipolar coupling accuracy improvement

Molecular modeling is an indispensable tool in the determination of macromolecular structures from NMR data and in the interpretation of the data. Thus, state-of-the-art molecular dynamics simulations can reproduce relaxation data well [9,96] and supply a model of the motion in atomic detail. Qualitative aspects of correlated backbone motions can be understood from NMR structure ensembles [63]. Additional data, in particular residual dipolar couplings, improve the precision and accuracy of NMR structures qualitatively [12]. [Pg.271]

L.S. Yao, J.F. Ying, A. Bax, Improved accuracy of N- H scalar and residual dipolar couplings from gradient-enhanced IPAP-HSQC experiments on protonated proteins,... [Pg.227]


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Accuracy improving

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Dipolar coupling

Residual dipolar

Residual dipolar couplings

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