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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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Bibliografski detalji
Izdano u:J Chem Theory Comput
Glavni autori: Świderek, Katarzyna, Arafet, Kemel, Kohen, Amnon, Moliner, Vicent
Format: Artigo
Jezik:Inglês
Izdano: 2017
Teme:
Online pristup: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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