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Comparison of formation of reactive conformers for the S(N)2 displacements by CH(3)CO [Formula: see text] in water and by Asp124-CO [Formula: see text] in a haloalkane dehalogenase
The S(N)2 displacement of Cl(−) from 1,2-dichloroethane by acetate (CH(3)CO [Formula: see text]) in water and by the carboxylate of the active site aspartate in the haloalkane dehalogenase of Xanthobacter autothropicus have been compared by using molecular dynamics simulations. In aqueous solution,...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
The National Academy of Sciences
2003
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC151320/ https://ncbi.nlm.nih.gov/pubmed/12610210 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.242721799 |
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