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老师好,我想请问几个问题 #34

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zhangwenda0518 opened this issue Feb 17, 2025 · 0 comments
Open

老师好,我想请问几个问题 #34

zhangwenda0518 opened this issue Feb 17, 2025 · 0 comments

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@zhangwenda0518
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老师好,我是一个新手,您开发的Dockey确实简单了好多,但是我遇到很多不清楚的地方,比如,我导入UDP-glucose配体,我查询其pubchem的ID为8629,直接pubchem数据库但是对接错误,我手动下载了对应sdf文件,这次成功了。好奇这是什么原因。还有一个,老师,pubchem里有10种UDP-glucose的3D构象,比如图2和图3. 我选择哪个sdf文件合适呢,这会影响对接吗。

老师,我使用一个受体(糖基转移酶)想和两个配体(一个UDP-glucose,一个tyrosol,苷元)同时对接。我在结果中只看到了分别对接的结果,我怎么合并起来呢,同时看这三者的对接结果呢。

老师,Dockey有视频教学吗?能麻烦老师推荐些入门资料吗?我实验室目前还没人做这一块。

谢谢老师!

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