Number of the top 3 scored docking poses within a distance of 6 Å between the SOM and the Cpd I oxygen docked in 120 WT and 120 A477T structures corresponding to the 40 MD centroids for each MD case.
收藏Figshare2018-05-10 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Number_of_the_top_3_scored_docking_poses_within_a_distance_of_6_between_the_SOM_and_the_Cpd_I_oxygen_docked_in_120_WT_and_120_A477T_structures_corresponding_to_the_40_MD_centroids_for_each_MD_case_/6251981
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The centroids showing > 6% representativity correspond to a cluster covering at least 6% of the conformers generated along the 250 ns MD simulations.
创建时间：
2018-05-10
