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. Author manuscript; available in PMC: 2015 Sep 30.
Published in final edited form as: J Comput Chem. 2014 Jul 22;35(25):1824–1834. doi: 10.1002/jcc.23690

Figure 2.

Figure 2

The AmpC reference ligand (yellow) shown with minimum (solid green) and maximum (mesh green) volumetric shape constraints defined only by the ligand. The shape constraints were created by shrinking/growing the ligand volume by a gap distance of 2Å.