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Sampling efficiency for ligand docking results.

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Figshare2015-12-02 更新2026-04-29 收录
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Reported is the negative log of the sampling efficiency of ligand binding modes within 2.0 Å RMSD of the bioactive ligand conformation within the experimental structure as measured over the ligand heavy-atoms.*denotes where sampling efficiency of Rosetta is worse than the worst-case uniform sampling scenario.# ND denotes not defined. No binding modes within 2.0 Å were sampled for this case.1fold improvement over USE2.0 of bioactive ligand is given in parentheses.2fold improvement over USE2.0 of ligand conformers is given in parentheses.

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2015-12-02
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