Ensemble determination by NMR data deconvolution

Lianne H E Wieske1, Stefan Peintner1, Máté Erdélyi2

  • 1Department of Chemistry-BMC, Uppsala University, Uppsala, Sweden.

Summary

Nuclear magnetic resonance (NMR) provides atomic-level molecular conformation data in solution. This review guides selecting NMR experiments and handling data to accurately represent flexible molecules using computational methods.

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