Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP) Toolbox

Starting with a pair of DOSY spectra, one recorded on a sample containing a mixture of putative ligands, the other recorded on a sample containing that mixture plus a macromolecule, match DOSY peaks between the two spectra and use clustering to detect which putative ligands actually bind the macromolecule. CoLD-CoP can even detect binding constants greater than 10 mM and binding in the presence of low macromolecular concentrations. To be published in J. Magn. Reson. (DOI: 10.1016/j.jmr.2015.03.005).