Karplus equation
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The Karplus equation, named after Martin Karplus, describes the correlation between coupling constants and back bone torsion angles in protein nuclear magnetic resonance spectroscopy. This equation is an important tool for the elucidation of 3D structures through NMR methods, and it takes one of several forms, depending on whether one, two, or three-dimensional NMR spectroscopy is being performed. For one-dimensional NMR, it is the following:
where J is the coupling constant, φ is the alpha carbon-nitrogen dihedral angle, and A, B, and C are empirically derived parameters.
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