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In the study of small molecule ligands and candidate macromolecular targets, water spins in long-lived association with macromolecules (proteins or nanoparticles) constitute a remarkable source of magneti-zation that can be exploited to reveal ligand-target binding. In this work we show how the selective sat-uration of water spins complemented with adiabatic off-resonance spin-locks can remove the NOE contribution of bulk water in the final difference spectrum, leading to uniformly enhanced signals that reveal weak ligand-target interactions.(c) 2022 Elsevier Inc. All rights reserved.
Harald Brune, Stefano Rusponi, Christian Wäckerlin, Jan Gui-Hyon Dreiser, Pietro Gambardella, Fabio Donati, Aparajita Singha, Romana Baltic, Sebastian Stepanow
Mayeul Sylvain Chipaux, Hoda Shirzad