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Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis
[Image: see text] We describe an approach to identify enzyme mutants with increased turnover using the enzyme DszC as a case study. Our approach is based on recalculating the barriers of alanine mutants through single-point energy calculations at the hybrid QM/MM level in the wild-type reactant and...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9832474/ https://www.ncbi.nlm.nih.gov/pubmed/36534708 http://dx.doi.org/10.1021/acs.jcim.2c01337 |