Title : Structure-Based Site of Metabolism (SOM) Prediction of Ligand for CYP3A4 Enzyme: Comparison of Glide XP and Induced Fit Docking (IFD).

Pub. Date : 2020 Apr 1

PMID : 32244772






1 Functional Relationships(s)
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1 To predict the accessibility of substrate atoms to the heme iron, conventional protein-rigid docking methods failed due to the high flexibility of the CYP3A4 protein. Heme cytochrome P450 family 3 subfamily A member 4 Homo sapiens