NMR chemical exchange in mapping the protein-ligand binding site

NMR chemical exchange in mapping the protein-ligand binding site

Mapping the binding site of ligands to proteins using chemical exchange parameters by NMR spectroscopy

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Chemical exchange is one of the most extensively studied phenomenon in NMR spectroscopy to identify and establish the mechanism of interaction between molecules of interest (protein-ligand). While the exchange regimes are classified into three types based on the experimentally observed spectral pattern, the theory underlying all these three regimes is general. In order to delineate the mechanism of interaction through chemical exchange, mechanism dependent ligand correction and evaluation of population are necessary. For a simple system the data analysis is easier compared to the complex syste...