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. Author manuscript; available in PMC: 2022 Sep 27.
Published in final edited form as: J Chem Inf Model. 2021 Sep 1;61(9):4331–4341. doi: 10.1021/acs.jcim.1c00368

Figure 5.

Figure 5.

Docking poses of strained decoys (top four) and unstrained binders (bottom two) in AmpC. 2D images of the molecules are also shown. The strained torsions are indicated in cyan and labeled with their degrees out of optimum.