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| Main Authors: | , , , , , , , |
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| Format: | Artículo Open Access |
| Published: |
Wiley
2026
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| Subjects: | |
| Online Access: | https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/open.70164 |
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Table of Contents:
- Using MD Simulations to Understand the Impact of Directed Evolution on Oxygen Affinity in Amine Oxidases Christopher R. Field Rowan Lindeque Jonathan P. Dolan Julie Østerby Madsen Sam Hay Nicholas J. Turner John M. Woodley Sebastian C. Cosgrove ChemistryOpen Mutants of the amine oxidase from Aspergillus niger were tested to ascertain the need for molecular oxygen across the family of mutant enzymes. Two of the variants were selected, namely D5 and D11, which had 5 and 10 mutations, respectively, versus the wild type. Experimental observations showed a difference in oxygen requirements between variants. Molecular dynamics simulations were then used to give a potential explanation for this difference in observed activity at a molecular level. 10.1002/open.70164 http://creativecommons.org/licenses/by/4.0/