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  • Title: Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s.
    Author: Kontoyianni M, Lacy B.
    Journal: Curr Med Chem; 2018; 25(28):3353-3373. PubMed ID: 29484977.
    Abstract:
    Cytochrome P450s are enzymes capable of metabolizing a wide variety of drugs. Their significant impact in drug discovery has led to extensive research, computationally and experimentally, in order to explore how a chemical entity responds to metabolizing enzymes. We present an overview of ligand-based and structure-based methodologies, along with pertinent information on the structures, biology, and relevance of these enzymes.
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