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CHAPTER 10

Modeling O2-dependent Heme Enzymes: A Quick Guide for Non-experts

In this chapter, we provide an introduction and short review on how in silico techniques have been used to model O2-dependent heme enzymes. We aim at presenting a quick but wide assessment of different computational tools, including diverse bioinformatics and molecular modeling techniques. To perform such analysis, we focus on three different enzymes: the superfamily of Cytochrome P450 monooxygenases and the two related enzymes tryptophan 2,3-dioxygenase and indoleamine 2,3-dioxygenase. We hope that this overview will inspire the use of modeling tools, which, as shown here, have significantly contributed to the advance of mechanistic and design studies in these heme enzymes.

Publication details


Print publication date
03 Oct 2018
Copyright year
2019
Print ISBN
978-1-78262-991-7
PDF eISBN
978-1-78801-291-1
ePub eISBN
978-1-78801-541-7
From the book series:
Metallobiology