Coupled electron and proton transfer reactions play a key role in the mechanisms of
biological energy transduction. 1-3 Such reactions are also fundamental for artificial …

▪ Abstract This review discusses methods for the incorporation of quantum mechanical
effects into enzyme kinetics simulations in which the enzyme is an explicit part of the model …

The field of isotope effects has expanded exponentially in the last decade, and researchers
are finding isotopes increasingly useful in their studies. Bringing literature on the subject up …

The hydrogen-atom transfer in soybean lipoxygenase-1 (SLO) exhibits a large kinetic
isotope effect on k cat (KIE= 81) near room temperature and a very weak temperature …

Over the past 15 years there has been an explosion of research on the dynamical properties
of proteins, largely driven by the emergence of a handful of techniques that are sensitive to …

Hydrogen transfer reactions play an important role throughout chemistry and biology. In
general, hydrogen transfer reactions encompass proton and hydride transfer, which are …

Although many aspects of enzyme catalysis have been constructively analyzed, 1-52 there
are still many aspects that are imperfectly understood. Of particular interest in this regard are …

We present an atomic-level description of the reaction chemistry of an enzyme-catalyzed
reaction dominated by proton tunneling. By solving structures of reaction intermediates at …

Recent developments in solution NMR methods have allowed for an unprecedented view of
protein dynamics. Current insights into the nature of protein dynamics and their potential …

Molecular vibrations underpin important phenomena such as spectral properties, energy
transfer, and molecular bonding. However, obtaining a detailed understanding of the …