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Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase AElectronic supplementary information (ESI) available: xyz coordinates for theoceptor complexes, and additional information as noted in the text. See DOI: 10.1039/c8sc04564j
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Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A† †Electronic supplementary information (ESI) available: xyz coordinates for theoceptor complexes, and additional information as noted in the text. See DOI: 10.1039/c8sc04564j
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