A method to derive structural information on molecules from residual dipolar coupling NMR data
A method for structure refinement of molecules based on residual dipolar coupling (RDC) data is proposed. It calculates RDC values using rotational and molecule-internal configurational sampling instead of the common refinement procedure that is based on the approximation of the nonuniform rotationa...
Main Authors: | , , , , |
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Format: | Journal article |
Language: | English |
Published: |
American Chemical Society
2022
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