Pivotal role of water in terminating enzymatic function : a density functional theory study of the mechanism-based inactivation of cytochromes P450
The importance of the mechanism-based inactivation (MBI) of enzymes, which has a variety of physiological effects and therapeutic implications, has been garnering appreciation. Density functional theory calculations were undertaken to gain a clear understanding of the MBI of a cytochrome P450 enzyme...
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Main Authors: | Hirao, Hajime, Cheong, Zhi Hao, Wang, Xiaoqing |
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Other Authors: | School of Physical and Mathematical Sciences |
Format: | Article |
Language: | English |
Published: |
2013
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Subjects: | |
Online Access: | https://hdl.handle.net/10356/99761 http://hdl.handle.net/10220/17174 |
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Institution: | Nanyang Technological University |
Language: | English |
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