On account of the addition of 5-methylisoxazole ring, not only above key residues around the back pocket, but also some other adjacent residues (such as Cys446 m and Val455 m ), show an increasing trend in the non-polar contributions, thereby facilitating the high activity of 10 .
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Importance of Incorporating Protein Flexibility in Molecule Modeling: A Theoretical Study on Type I<sup>1/2</sup> NIK Inhibitors.
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