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Major hydrogen bond interactions formed during SEEKR2 simulations for the JAK2–inhibitor 9 complex at (a) TS 1 displaying H-bond acceptor residues (yellow), H-bond donor residues (green), and H-bond donor/acceptor residues (red) and (b) TS 2 displaying H-bond acceptor residues (yellow) and H-bond donor residues (green).
