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In silico studies using molecular docking approaches are not stand-alone techniques and results have to be experimentally validated in vitro. Otherwise they remain hypothetical. Without functional assays (e.g. enzymatic inhibition) and binding studies (e.g. by surface plasmon resonance, isothermal calorimetry or microscale thermopheresis), there is no evidence, whether or not in silico results are correct. Unfortunately, the in vitro validation of the presented in silico data is missing in the present manuscript.   ÇëÎÊ   functional assays (e.g. enzymatic inhibition) and binding studies (e.g. by surface plasmon resonance, isothermal calorimetry or microscale thermopheresis),ÊÇʲôʵÑéÄØ£¿


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