Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis
Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme’s active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I) intermediate of cytochrome P450 are studied. Energy decomposition analy...
Main Authors: | Hajime Hirao, Nandun Thellamurege |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2013-06-01
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Series: | Molecules |
Subjects: | |
Online Access: | http://www.mdpi.com/1420-3049/18/6/6782 |
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