Understanding enzyme catalysis through the analysis of natural enzymes is a daunting
challenge—their active sites are complex and combine numerous interactions and catalytic …

The routine generation of enzymes with completely new active sites is a major unsolved
problem in protein engineering. Advances in this field have thus far been modest, perhaps …

Understanding enzymatic evolution is essential to engineer enzymes with improved
activities or to generate enzymes with tailor-made activities. The computationally designed …

The design of new enzymes for reactions not catalysed by naturally occurring biocatalysts is
a challenge for protein engineering and is a critical test of our understanding of enzyme …

Metallo‐β‐Lactamases (MBLs) protect bacteria from almost all β‐lactam antibiotics. Verona
integron‐encoded MBL (VIM) enzymes are among the most clinically important MBLs, with …

Despite advances in computational design of protein structures, it has proven very difficult to
design efficient enzyme catalysts by such approaches. One of the challenges in the field has …

Enzyme superfamilies have expanded over billions of years from the descendants of a
potentially single common ancestral function. Understanding the evolution of their functional …

A software suite, SABER (Selection of Active/Binding sites for Enzyme Redesign), has been
developed for the analysis of atomic geometries in protein structures, using a geometric …

In this article, we study with transition path sampling and reaction coordinate analysis how
directed evolution in the Kemp eliminase family of artificial enzymes makes differential use …

Linus Pauling established the conceptual framework for understanding and mimicking
enzymes more than six decades ago. The notion that enzymes selectively stabilize the rate …