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Figure 9
The calculated binding modes of BDHFI, BDHAI, BDHMFI and BDHFN with hERG (PDB ID: 3o0u). Hydrogen bonds are shown with orange dotted lines. If no hydrogen bond is formed, surfaces that contain the active sites are displayed (red surface). Total score values and seven additional contributing parts or scores are listed underneath for com­parison.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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