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Calculation of Structures from NMR Restraints

by Guntert, Peter

in calculation of structures ‐ from NMR restraints / chemical shift assignment, process and result ‐ specific chemical shift value to atom / CHEMISTRY / fully automated structure analysis – of proteins fully automated structure determination algorithm (FLYA) yields / mathematical theory of distance geometry ‐ for protein structure calculation / NMR spectra analysis, fully automated algorithm ‐ uninterpreted, multidimensional NMR spectra / NMR structure calculation software ‐ for reading assigned NOESY peak lists / NMR, method for determining ‐ three‐dimensional structures of proteins / protein structure determination, automation ‐ biomolecular NMR spectroscopy challenges / standard simulated annealing protocol ‐ program CYANA, N torsion angle dynamics time steps / structure calculation algorithms ‐ core algorithms for NMR protein structure calculation

2011

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Calculation of Structures from NMR Restraints

by Guntert, Peter

2011

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Calculation of Structures from NMR Restraints

by Guntert, Peter

2011

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Book Chapter

Calculation of Structures from NMR Restraints

Guntert, Peter

2011

Overview

This chapter contains sections titled: Introduction Historical Development Structure Calculation Algorithms Automated NOE Assignment Nonclassical Approaches Fully Automated Structure Analysis References

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Publisher

Wiley,John Wiley & Sons, Ltd

Subject

calculation of structures ‐ from NMR restraints

/ chemical shift assignment, process and result ‐ specific chemical shift value to atom

/ CHEMISTRY

/ fully automated structure analysis – of proteins fully automated structure determination algorithm (FLYA) yields

/ mathematical theory of distance geometry ‐ for protein structure calculation

/ NMR spectra analysis, fully automated algorithm ‐ uninterpreted, multidimensional NMR spectra

/ NMR structure calculation software ‐ for reading assigned NOESY peak lists