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. 2023 Apr 6;63(8):2469–2482. doi: 10.1021/acs.jcim.2c01589

Figure 10.

Figure 10

Binding site (green mesh) obtained from minimum average inhibitor–residue distances from three independent 2 μs of MD simulation trajectories: (a) JAK2–inhibitor 9 complex and (b) JAK3–inhibitor 9 complex.