Structure Calculation and Validation

Introduction ==

Constraints Used in Protein NMR Structure Determination

Distance (NOE, H-bond, distance calibration, NOE averaging, stereospecific assignments

Dihedral angle (J-coupling, chemical shifts)

Orientational constraints (RDC, PRE)

Advanced Approaches to Derive Structural Information

SAXS

Computational Methods

Assignment of NOESY Peaklists and Structure Calculation

Structure Validation and Quality Assessment

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