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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 6.

Figure 6.

Six MSLD systems used to model ligands in the P38 MAP kinase dataset. Panel a shows systems P38MK-1 and 2. Panel b shows systems P38MK-3 and 4. Panel c shows systems P38MK-5 and 6. The core ligand is shown on top.