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. Author manuscript; available in PMC: 2023 Jun 14.
Published in final edited form as: J Chem Inf Model. 2022 Feb 2;62(3):618–626. doi: 10.1021/acs.jcim.1c01223

Figure 9.

Figure 9.

Ligands bound to PDB IDs 7AGA (right side) and 7ABU (left side) show space for linking chemistry (region in red dashed lines), where the two compounds could be optimized and linked through a calculated hotspot.