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ONIOM ((DFT:MM) estudio de la 2-hidroxietilfosfonato dioxigenasa: ¿qué determina el destino de los diferentes

Hajime Hirao1, Keiji Morokuma

  • 1Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore. hirao@ntu.edu.sg

Journal of the American Chemical Society
|August 31, 2011
PubMed
Resumen

Las enzimas producen diferentes productos a partir de sustratos similares debido a distintas vías de reacción. La transferencia de electrones acoplados a protones (PCET) determina el resultado después de que se forman los radicales comunes intermedios en estas reacciones enzimáticas.

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