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. Author manuscript; available in PMC: 2021 Dec 8.
Published in final edited form as: J Chem Theory Comput. 2020 Nov 18;16(12):7883–7894. doi: 10.1021/acs.jctc.0c00785

Figure 6.

Figure 6.

Examining the electron density map of the 4FCQ reveals that the right most water molecule displays a strange shape (as if it is a part of the ligand), suggesting it to not be a water molecule.