Dipolar couplings as a probe of molecular dynamics and structure in solution.
نویسنده
چکیده
The introduction of residual dipolar coupling methodology has increased the scope of structural biological problems that can be addressed by NMR spectroscopy. Conformational changes, the relative orientation of domains, and intermolecular complexes can now be characterized accurately and rapidly using NMR. The development of residual dipolar coupling methodology for the rapid recognition of homologous protein folds and for studies of submillisecond timescale dynamics has also seen considerable progress.
منابع مشابه
Simultaneous definition of high resolution protein structure and backbone conformational dynamics using NMR residual dipolar couplings.
Despite the importance of molecular dynamics for biological activity, most approaches to protein structure determination, whether based on crystallographic or solution studies, propose three-dimensional atomic representations of a single configuration that take no account of conformational fluctuation. Non-averaged anisotropic NMR interactions, such as residual dipolar couplings, that become me...
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2. Analytical description of dipolar couplings in terms of molecular structure and dynamics . . . . . . . . . . . . . . . . . . 25 2.1. Incomplete averaging of the dipolar interaction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 2.2. Structural dependence of residual dipolar couplings . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ....
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A method is described for quantitatively investigating the dynamic conformation of small oligosaccharides containing an alpha(1 --> 6) linkage. It was applied to the oligosaccharide Man-alpha(1 --> 3) [Man-alpha(1 --> 6)] Man-alpha-O-Me, which is a core region frequently observed in N-linked glycans. The approach tests an aqueous molecular dynamics simulation, capable of predicting microscopic ...
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عنوان ژورنال:
- Current opinion in structural biology
دوره 11 5 شماره
صفحات -
تاریخ انتشار 2001