Structural refinement deconvolution method

The deconvolution method proposed earlier by our group, translated the 3D cross peak intensities into 2D NOE intensities, which can be used to derive accurate distance constraints that can be used in structure refinement by an iterative relaxation matrix approach (11). This approach avoids systematic errors while retaining computational efficiency. 

The hybrid-hybrid matrix refinement method yields more accurate structures given the vastly increased number of resolved 3D NOESY-NOESY volumes. This method uses a straightforward deconvolution scheme to obtain 2D NOE volumes. The results from the simulation studies on the DNA dodecamer (24), and the refinement of the TWJ, have clearly shown that our hybrid-hybrid matrix approach can be a very promising method for solving the structures of large biomolecules that requires the use of three-dimensional NMR. 

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