Highlights•We compare catalytic properties of computationally designed versus native
enzymes.•We identify many strengths and difficulties of current enzyme design methods.•We …

Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …

Biocatalysis has emerged as a powerful alternative to traditional chemistry, especially for
asymmetric synthesis. One key requirement during process development is the discovery of …

Over the past two decades, directed evolution has transformed the field of protein
engineering. The advances in understanding protein structure and function, in no …

The ability of one enzyme to catalyse multiple, mechanistically distinct transformations likely
played a crucial role in organisms' abilities to adapt to changing external stimuli in the past …

Aside from the demonstration that individual molecular traits of enzymes can be
evolutionarily optimised, the discovery that several traits can be simultaneously optimised is …

Although computational enzyme design is of great importance, the advances utilizing
physics-based approaches have been slow, and further progress is urgently needed. One …

Iterative saturation mutagenesis (ISM) in combination with reduced amino acid alphabets
has been shown to be an efficient method for directed evolution. In order to minimize the …

Recent years have witnessed an explosion of interest in understanding the role of
conformational dynamics both in the evolution of new enzymatic activities from existing …

Enzyme Functionality serves as a conduit for trailblazing research in enzyme engineering-
relating current understanding of sequence families, the new notion of enzyme structure …