Take Me Heme, Binding Modes: Wrapping up the CYP Inhibition Challenge
The CYP challenge drew over 6,000 submissions. CYP2D6 was hardest to predict, and structure entries usually found the binding site but placed the ligand wrong.
By Maria Castellanos, Jon Swain and Hugo MacDermott-Opeskin. Read the full post on the OpenADMET blog.
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