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. Author manuscript; available in PMC: 2024 Jul 25.
Published in final edited form as: J Chem Inf Model. 2023 Sep 12;63(18):5803–5822. doi: 10.1021/acs.jcim.3c01031

Figure 18.

Figure 18.

Comparison between the top-scoring D3N-pinpoint pose (orange), and its respective reference ligand pose (green), along with MGE energy, QED, SynthA, TPSA, and LogP scores. Protein residues hidden for clarity. MGE in kcal/mol. TPSA in angstroms squared.

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