Enzymatic reactions play a fundamentally important role in controlling and performing most
life processes. 1-3 Thus, understanding how enzymes work has both fundamental and …

Phosphoryl transfer plays key roles in signaling, energy transduction, protein synthesis, and
maintaining the integrity of the genetic material. On the surface, it would appear to be a …

Phosphoryl-transfer reactions are central to biology. These reactions also have some of the
slowest nonenzymatic rates and thus require enormous rate accelerations from biological …

Hybrid quantum mechanical/molecular mechanical (QM/MM) approaches have been used
to provide a general scheme for chemical reactions in proteins. However, such approaches …

To evaluate the proficiency of phosphatases as catalysts, the rate of the uncatalyzed
hydrolysis of simple phosphate monoester dianions was estimated by extrapolating rates …

Recent years have seen an explosion in computer power, allowing for the examination of
ever more challenging problems. For instance, a recent simulation study, which was the first …

The nature of the hydrolysis of phosphate monoester dianions in solutions and in proteins is
a problem of significant current interest. The present work explores this problem by …

While RNA appears as a good candidate for the first autocatalytic systems preceding the
emergence of modern life, the synthesis of RNA oligonucleotides without enzymes remains …

Motor proteins couple steps in ATP binding and hydrolysis to conformational switching both
in and remote from the active site. In our kinesin• AMPPNP crystal structure, closure of the …

Understanding phosphoryl and sulfuryl transfer is central to many biochemical processes.
However, despite decades of experimental and computational studies, a consensus …