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Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations

[Image: see text] Calculation of temperature-dependent kinetic isotope effects (KIE) in enzymes presents a significant theoretical challenge. Additionally, it is not trivial to identify enzymes with available experimental accurate intrinsic KIEs in a range of temperatures. In the current work, we pr...

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Detalles Bibliográficos
Autores principales: Mhashal, Anil R., Major, Dan Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7883348/
https://www.ncbi.nlm.nih.gov/pubmed/33522797
http://dx.doi.org/10.1021/acs.jpcb.0c10318