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Dock energy and footprint similarity (FPS) scores for compounds docked to FABP7.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Dock_energy_and_footprint_similarity_FPS_scores_for_compounds_docked_to_FABP7_/201062
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aStony Brook ID with corresponding ChemDiv number.bFootprint scoring function used for compound selection.cDCE scores in kcal/mol.dFPS scores in units of normalised Euclidian distance where 0 represents the best overlap. FPSVDW and FPSES scores range from (0,2] and FPSVDW+ES range from (0,4].
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2015-12-02
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