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    IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors by Alexandra Cousido-Siah (777034)

    Published 2016
    “…Next, by means of IC<sub>50</sub> measurements, X-ray crystallography, WaterMap analysis, and advanced binding free energy calculations with a quantum-mechanical (QM) approach, we have studied their structure–activity relationship (SAR) against both enzymes. …”