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Benchmarking QM/MM Methods on the Thymidylate Synthase Catalyzed Hydride Transfer
Given the ubiquity of hydride-transfer reactions in enzyme-catalyzed processes, identifying the appropriate computational method for evaluating such biological reactions is crucial to perform theoretical studies of these processes. In this paper, the hydride-transfer step catalyzed by thymidylate sy...
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| Publicado no: | J Chem Theory Comput |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5371049/ https://ncbi.nlm.nih.gov/pubmed/28192669 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b01032 |
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