We review the standard model for de novo computational design of enzymes, which
primarily focuses on the development of an active-site geometry, composed of protein …

This review examines the linkage between protein conformational motions and enzyme
catalysis. The fundamental issues related to this linkage are probed in the context of two …

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 …

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 …

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 …

Enzymes continue to be the subject of intensive research efforts because of their ability to
accelerate chemical reactions by factors as large as 1020 with extraordinary selectivity. 1 …

Many biological C‐H activation reactions exhibit nonclassical kinetic isotope effects (KIEs).
These nonclassical KIEs are too large (kH/kD> 7) and/or exhibit unusual temperature …

Dihydrofolate reductase (DHFR) catalyzes the reduction of dihydrofolate to tetrahydrofolate.
The catalytic rate in this system has been found to be significantly affected by mutations far …