In silico prediction of human sulfotransferase 1e1 activity guided by pharmacophores from molecular dynamics simulations*

HIGHLIGHTS

• who: Christin Rakers from the (UNIVERSITY) have published the research: In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations*, in the Journal: (JOURNAL) of August/31,/2015
• what: Although the majority of metabolism prediction studies focuses on phase I, the significance of phase II metabolism is generally underestimated and to this day, computer-based models for the prediction of phase II metabolism remain scarce .
• how: NUMBER 1 ucts of the seven compounds investigated the following MS and MS/MS experiments were conducted. Careful visual inspection of the . . .
  

   

  

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