t6odm
收藏Mendeley Data2020-07-09 更新2026-04-09 收录
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https://data.mendeley.com/datasets/vfmv2pcfj9
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资源简介：
Thebaine 6-O-demethylase (T6ODM) is an Fe(II)/2-oxoglutarate-dependent dioxygenase catalyzing two oxidative O-demethylation reactions in morphine biosynthesis. Through the docking and Multi-Parametric Surface Plasmon Resonance (MP-SPR) we have shown that two molecules of substrate bind to the Active site. Further through MD simulation, QM/MM and DFT calculations energy barrier for the 6-O-demethylation of thebaine and oripavine has been calculated. All these energy barriers are energetically favorable.
创建时间：
2020-07-09
