爱笑的格格 发表于 2013-8-14 16:02:26

柔性对接问题

本帖最后由 爱笑的格格 于 2013-8-16 15:27 编辑

各位大大，设置柔性对接的时候van der Waals scaling 该怎么理解呢？{:soso_e160:}

xxffliu 发表于 2013-8-17 06:13:16

This factor scales the van der waals radii and soften the van der waals repulsive interaction, which tolerates the local collisions in the flexible docking. Basically, the smaller this factor (I assume it is between 0 and 1), more "soften" of the van der waals repulsive interaction.

爱笑的格格 发表于 2013-8-21 14:14:50

xxffliu 发表于 2013-8-17 06:13 static/image/common/back.gif
This factor scales the van der waals radii and soften the van der waals repulsive interaction, which ...

:loveliness:嗯，三克油哦，那么你能再讲讲设置的时候这factor0-1该如何把握呢？
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