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Binding site volumes and normalized docking scores (NDS) of CETP inhibitors for CETP and six classes of putative off-targets.

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Figshare2015-12-02 更新2026-05-11 收录
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The predicted binding affinities are grouped with different symbols: * represents strong binding affinity (NDS#relatively strong (0.0>NDS>?2.0), and others represent less likely binding due to the steric crashes between the ligand and the protein (NDS>0.0), respectively.$indicates that Cystine appears in the binding site and may form disulfide bonds with JTT705.

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2015-12-02
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