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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 3.

Figure 3.

Docking poses of strained decoys (top four) and unstrained binders (bottom two) in DRD4. Two-dimensional (2D) images of the molecules are also shown. The strained torsions are indicated in cyan and labeled with their degrees out of optimum.