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MD simulations and QM/MM calculations show that single-site mutations of cytochrome P450BM3 alter the active site's complexity and the chemoselectivity of oxidation without changing the active species

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Description scientific article published on 13 June 2017
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author: Sason Shaik  Manu Vajpai  Kshatresh Dutta Dubey 

Publication date June 13, 2017
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