Integrated Computational Profiling Links Position-specific O-Methylation to Spontaneous Complexation and Improved Binding in Flavonoid-HER2 Systems
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Human epidermal growth factor receptor 2-positive (HER2+) breast cancer is characterized by amplification and overexpression of HER2. This study used a computational workflow to identify O-methylated flavonoids with favorable binding to the HER2 kinase domain ... ...
