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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.

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
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