Hydrogen bonds play integral roles in biological structure, function, and conformational
dynamics and are fundamental to life as it has evolved on Earth. However, our …

This Perspective presents a review of our work and that of others in the highly controversial
topic of the coupling of protein dynamics to reaction in enzymes. We have been involved in …

The enzyme soybean lipoxygenase (SLO) provides a prototype for deep tunneling
mechanisms in hydrogen transfer catalysis. This work combines room temperature X-ray …

Hydrogen atom transfer (HAT) is a salient feature of many enzymatic C–H cleavage
mechanisms. In systems where kinetic isolation of HAT is achieved, selective labeling of …

Chemical reactions are in virtually all cases understood and explained on the basis of
depicting the molecular potential energy landscape, ie, the change in atomic positions vs the …

Highlights•Loops and channels are both promising dynamic engineering targets for altered
enzymatic properties.•The relevance of loop dynamics in engineering studies highlights to …

Even after a century of investigation, our understanding of how enzymes work remains far
from complete. In particular, several factors that enable enzymes to achieve high catalytic …

How enzymes achieve their enormous rate enhancements remains a central question in
biology, and our understanding to date has impacted drug development, influenced enzyme …

The kinetic isotope effect (KIE) is key to understanding reaction mechanisms in many areas
of chemistry and chemical biology, including organometallic chemistry. This ratio of rate …

High-valent metal-hydroxide species are invoked as critical intermediates in both catalytic,
metal-mediated O2 activation (eg, by Fe porphyrin in Cytochrome P450) and O2 production …