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. Author manuscript; available in PMC: 2021 Dec 8.
Published in final edited form as: J Chem Theory Comput. 2020 Nov 17;16(12):7895–7914. doi: 10.1021/acs.jctc.0c00830

Figure 3.

Figure 3.

Five MSLD systems used to model ligands in the FAAH dataset. Panel a shows systems FAAH-1, FAAH-2, and FAAH-3, which model eight substituents each. Panel b shows FAAH-4 and FAAH-5, which model six substituents each. The core ligand is shown on top.