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  5. A QM/MM study of the halogenation by SyrB2

A QM/MM study of the halogenation by SyrB2

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：yuekinger
【摘 要】
：
The MD simulation followed by multiscale modelling was performed to explore the conformational properties of SyrB2 halogenase and to elucidate the mechanism of selective halogenation.
【作 者】
：
J.Huang C.S.Li B.J.Wang W.Wu S.Shaik 
【机 构】
：
State Key Laboratory of Physical Chemistry of Solid Surfaces,Fujian Provincial Key Laboratory of The
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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The MD simulation followed by multiscale modelling was performed to explore the conformational properties of SyrB2 halogenase and to elucidate the mechanism of selective halogenation.
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