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Correlation coefficients R between the experimental and calculated binding affinities (scores) for the top-scored docking poses.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Correlation_coefficients_R_between_the_experimental_and_calculated_binding_affinities_scores_for_the_top_scored_docking_poses_/259636
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*For calculation of the free energy of the receptor, the apo-type structure was used.
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2015-12-02
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