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Influence of Active Site Conformations on the Hydride Transfer step of the Thymidylate Synthase Reaction Mechanism
The hydride transfer from C6 of tetrahydrofolate to the reaction’s exocyclic methylene-dUMP intermediate is the rate limiting step in thymidylate synthase (TSase) catalysis. This step has been studied by means of QM/MM Molecular Dynamics simulations to generate the corresponding free energy surfaces...
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| Publicado en: | Phys Chem Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2015
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4605845/ https://ncbi.nlm.nih.gov/pubmed/25868526 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5cp01239b |
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