APAP-CYPs regioselectivity determined by experimental data and calculation.
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https://figshare.com/articles/dataset/_APAP_CYPs_regioselectivity_determined_by_experimental_data_and_calculation_/924326
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#Empirical TS barrier different refers to the estimated energy difference between N-oxidation and 3-C-hydroxylation from CYP2A6 study.*Both S2 and S3 could lead to 3-OH-APAP. NAPQI could be slightly favored product.
创建时间：
2015-12-02
