wzh_1995 发表于 2016-10-14 10:14:21

vina对接

请教一下大家,vina做对接计算,配体与蛋白是否都要考虑范德华力和静电作用?

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图1

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图2:这里的vdW=1是什么意思




625557018 发表于 2016-10-31 14:38:37

按照官网的教程来做就可以,有视频
页: [1]
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