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Carbinolamine Formation and Dehydration in a DNA Repair Enzyme Active Site
In order to suggest detailed mechanistic hypotheses for the formation and dehydration of a key carbinolamine intermediate in the T4 pyrimidine dimer glycosylase (T4PDG) reaction, we have investigated these reactions using steered molecular dynamics with a coupled quantum mechanics–molecular mechanic...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science
2012
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3285167/ https://ncbi.nlm.nih.gov/pubmed/22384015 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0031377 |
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