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yoyofury

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[交流] Cerius2被肢解了已有1人参与

Cerius2 for Drug Discovery is now part of Discovery Studio

The advanced drug discovery technologies in Cerius2 are being integrated into the Discovery Studio research environment — a comprehensive suite of modeling and simulation solutions for life science researchers. Within Discovery Studio, Cerius2 functionality will be seamlessly integrated with many other premier application modules that perform such tasks as protein modeling, simulations, and receptor-ligand interactions.


Cerius2 for Materials Science is now part of Materials Studio

The materials modeling and simulation technologies in Cerius2 have been integrated into the Materials Studio research environment — a comprehensive suite of modeling and simulation solutions for studying chemicals and materials. Within Materials Studio, Cerius2 functionality will be seamlessly integrated with many other premier application modules for analytical and crystallization, polymers and classical simulation, quantum and catalysis, and visualization and statistics.
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hjlyyc

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不知为啥,我用MS中的Sorption计算的值总是不能和文献中从Cerius2 的Sorption中得到的值一致!
天道酬勤!
3楼2010-01-25 22:10:57
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huangyc

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Cerius2中的Adsorption是不是需要提供量子化学计算出来的力场参数?可是在MS中没有看到输入参数和地方啊,直接用COMPASS或其它?

期待指点
4楼2010-04-13 11:11:25
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