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Binding modes of JMX0286, JMX0301 and JMX0941 to 3CLpro in the allosteric site. Best docking poses of JMX-inhibitors to the 3CLpro allosteric site. Poses were generated by induced fit docking (A) and molecular docking with Glide at the XP level (B–C), for JMX0286, and JMX0301 and JMX0941, respectively. 2D-Interaction maps are also shown (D–F).
