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

Biocatalysis is an enabling technology adding to organic oxidation chemistry. Especially the
high selectivity of enzymatic oxidation coevally operating under mild conditions and not …

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

Protein dynamics have controversially been proposed to be at the heart of enzyme catalysis,
but identification and analysis of dynamical effects in enzyme-catalyzed reactions have …

Conspectus This Account describes the use of molecular dynamics (MD) simulations to
reveal how mutations alter the structure and organization of enzyme active sites. As …

The structure of formate dehydrogenase from Candida boidinii (CbFDH) is of both academic
and practical interests. First, this enzyme represents a unique model system for studies on …

This article is an essay that discusses the concepts underlying the application of modern
transition state theory to reactions in enzymes. Issues covered include the potential of mean …

Glucose oxidase has wide applications in the pharmaceutical, chemical, and food industries.
Many recent studies have enhanced key properties of this enzyme using directed evolution …

In recent years, the temperature dependence of primary kinetic isotope effects (KIE) has
been used as indicator for the physical nature of enzyme-catalyzed H-transfer reactions. An …

Isotopic substitution (15N, 13C, 2H) of a catalytically compromised variant of Escherichia coli
dihydrofolate reductase, EcDHFR-N23PP/S148A, has been used to investigate the effect of …