Enzymes as catalysts in synthetic organic chemistry gained importance in the latter half of
the 20th century, but nevertheless suffered from two major limitations. First, many enzymes …

Computational enzymology is a rapidly maturing field that is increasingly integral to
understanding mechanisms of enzyme-catalyzed reactions and their practical applications …

The amino acid sequence of a protein affects both its structure and its function. Thus, the
ability to modify the sequence, and hence the structure and activity, of individual proteins in …

One of the critical variables that determine the rate of any reaction is temperature. For
biological systems, the effects of temperature are convoluted with myriad (and often …

The impressive efficiency and selectivity of biological catalysts has engendered a long-
standing effort to understand the details of enzyme action. It is widely accepted that enzymes …

Enzymes are very efficient catalysts that are essential for the functioning of living organisms.
The low efficiency of biocatalysts produced de novo relative to those that have evolved …

Fast motions (femtosecond to picosecond) and their potential involvement during enzyme-
catalysed reactions have ignited considerable interest in recent years. Their influence on …

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

The initial phases of drug discovery–in silico drug design–could benefit from first principle
Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics (MD) simulations …

Using a microscopic theory to analyze experiments, we demonstrate that enzymes are active
matter. Superresolution fluorescence measurements—performed across four orders of …