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. 2018 Jul 5;57(32):4934–4951. doi: 10.1021/acs.biochem.8b00524

Figure 4.

Figure 4

(a) DOCK setup for HER2 showing protein in a gray surface, energy grid bounding box in purple, binding pocket spheres in yellow, and erlotinib in a green surface. (b) Close-up view of erlotinib, showing the water-mediated network. Atoms within H-bonding distance shown as dashed magenta lines.