Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory

Chemical Communications vol. 31  p. 3909-3911  DOI: 10.1039/B502568K  
PMID/PMCID: 16075068 Published: 2005-01-01 

Quantum Biophysics

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Yun Liu
Xabier Lopez
Darrin M. York

Abstract

Primary and secondary kinetic and equilibrium isotope effects are calculated with density-functional methods for the dianionic methanolysis of the native (unsubstituted) and thio-substituted ethylene phosphates.