Two-dimensional NMR from a Single Pulse: Reconstructing Heteronuclear 2D spectra via off-resonance decoupling and Deep Neural Networks
Nihar Pradeep Khandave, Veera Mohana Rao Kakita, Charles J. Buchanan, Vaibhav Kumar Shukla, Kevin Haubrich, Pramodh Vallurupalli, D. Flemming Hansen
This paper uses deep neural networks to reconstruct 2D NMR spectra from single-pulse experiments, eliminating transfer delays and enabling high-quality methyl correlation maps for large proteins.
Proceedings of the National Academy of Sciences · Apr 21, 2026Peer-reviewedBiophysics