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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 13.

Figure 13.

DOCK6 energy scores from molecules in the D3N-drugc ensemble (red line) versus molecules in the D3N-loose ensemble filtered afterward by the D3N-drugc target ranges (gray area) by protein family. Energies in kcal/mol.

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