Comparison of the best poses found with Glide/XP and GOLD for selected drugs binding to open hERG1 channel.
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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:
2015-12-02



