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

Yun Liu, Xabier Lopez, Darrin M. York [ ]

Quantum Biophysics

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.