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cherryzhi

金虫 (正式写手)

[求助] 分子对接之前怎样处理配体? 已有1人参与

如题,我再用auotodock vina做分子对接,在对接之前想对配体进行一下处理,使配体处于生物环境中的配体质子化状态,请问各位:1. autodock vina软件可以实现这个功能么?2. 如果不能,有什么软件可以实现?除了薛定谔,收费的,用不起啊!
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pymol

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cherryzhi: 金币+20, ★有帮助 2016-03-03 10:52:50
autodock对接都是理想状态对接的,溶液环境不能随意设置,文献中也鲜有类似的例子。。。
2楼2016-02-14 15:14:45
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