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. 2021 Jan 11;12(3):447–461. doi: 10.1021/acschemneuro.0c00624

Figure 5.

Figure 5

Per residue binding free energy deconvolution (PRBFED) of the enthalpic term (ΔHbind,res) for the MAO B (A) and AChE (B) residues involved in the complex with 2. Dark-colored bars highlights those protein residues involved in stronger interactions (e.g., HBs) with the compound in each complex.