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...

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Bibliographic Details
Main Authors: Thellamurege, Nandun, Hirao, Hajime
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2013
Online Access:https://hdl.handle.net/10356/98492
http://hdl.handle.net/10220/12427
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Institution: Nanyang Technological University
Language: English