遇见数据集

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.

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2014-09-05
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