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  • Resolution enhancement  (2)
  • Structure determination  (1)
  • 1
    Electronic Resource
    Electronic Resource
    A method for determining overall protein fold from NMR distance restraints (1992)
    Springer
    Journal of biomolecular NMR 2 (1992), S. 535-543 
    Details
    ISSN: 1573-5001
    Keywords: Protein fold ; Distance restraint ; Molecular dynamics ; Distance geometry ; Reduced representation ; Structure determination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary We describe a simple method for determining the overall fold of a polypeptide chain from NOE-derived distance restraints. The method uses a reduced representation consisting of two particles per residue, and a force field containing pseudo-bond and pseudo-angle terms, an ‘electrostatic’ term, but no van der Waals or hard shell repulsive terms. The method is fast and robust, requiring relatively few distance restraints to approximate the correct fold, and the correct mirror image is readily determined. The method is easily implemented using commercially available molecular modeling software.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02192843
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Application of nonlinear sampling schemes to COSY-type spectra (1993)
    Springer
    Journal of biomolecular NMR 3 (1993), S. 569-576 
    Details
    ISSN: 1573-5001
    Keywords: Nonlinear sampling ; COSY-type spectra ; Maximum entropy reconstruction ; Resolution enhancement ; Sensitivity enhancement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary Nonlinear sampling along the t1 dimension is applied to COSY-type spectra. The sine dependence of the time domain signals for the cross peaks is matched by a nonlinear sampling scheme that samples most densely around the maximum of the sine function. Data are processed by maximum entropy reconstruction, using a modified implementation of the ‘Cambridge’ algorithm of Skilling and Bryan. The procedure is demonstrated for P.E.COSY spectra recorded on a cyclic hexapeptide and on a 126-residue domain of the protein villin. The number of t1 values in the nonlinearly sampled experiments was reduced by a factor of four compared to linear sampling. The sensitivity and resolution of the resulting spectra are comparable to those achieved by conventional methods. The method described can thus significantly reduce the measuring time for COSY-type spectra.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00174610
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Improved resolution in triple-resonance spectra by nonlinear sampling in the constant-time domain (1994)
    Springer
    Journal of biomolecular NMR 4 (1994), S. 483-490 
    Details
    ISSN: 1573-5001
    Keywords: Nonlinear sampling ; Constant-time spectra ; Maximum entropy reconstruction ; Resolution enhancement ; Heteronuclear triple-resonance experiments ; HNCO
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary Nonlinear sampling along the constant-time dimension is applied to the constant-time HNCO spectrum of the dimerization domain of Ga14. Nonlinear sampling was used for the nitrogen dimension, while the carbon and proton dimensions were sampled linearly. A conventional ct-HNCO spectrum is compared with a nonlinearly sampled spectrum, where the gain in experiment time obtained from nonlinear sampling is used to increase the resolution in the carbonyl dimension. Nonlinearly sampled data are processed by maximum entropy reconstruction. It is shown that the nonlinearly sampled spectrum has a higher resolution, although it was recorded in less time. The constant intensity of the signal in the constant-time dimension allows for a variety of sampling schedules. A schedule of randomly distributed sampling points yields the best results. This general method can be used to significantly increase the quality of heteronuclear constant-time spectra.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00156615
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    Paper (German National Licenses)
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