Comparison of the best poses found with Glide/XP and GOLD for selected drugs binding to open hERG1 channel.
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https://figshare.com/articles/dataset/_Comparison_of_the_best_poses_found_with_Glide_XP_and_GOLD_for_selected_drugs_binding_to_open_hERG1_channel_/1162966
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In parentheses is the population of the cluster from which the best pose comes from (always most populated one). In the case of Glide/XP, the output is only giving the selected best poses using a selection criteria explained in the methods. For definitions of the binding pockets see Durdagi et al. [7].
Comparison of the best poses found with Glide/XP and GOLD for selected drugs binding to open hERG1 channel.
创建时间：
2014-09-05
