Fidelity enhancement in NMR spectroscopy for assisted drug design

Researchers: Mark Bostock, Robert Calderbank (Duke University), Daniel Nietlispach, Bogdan Roman

In biology and chemistry, nuclear magnetic resonance spectroscopy seeks high-resolution representation of spectral features to characterize atomic-resolution structure, molecular dynamics and interactions, or to guide structure-based drug design, e.g. drugs targeting membrane proteins, which represent a major drug target as they account for 30% of the human genome. This project aims to use compressed sensing techniques to change the acquisition process such that high fidelity data is better targeted and in order to resolve with higher fidelity the shape and intensities of all spectral peaks, in particular the small intensity ones, while at the same time maintaining or reducing acquisition time to ensure the stability of the samples.

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