Conspectus Artificial metalloenzymes (ArMs) are obtained by inserting homogeneous
catalysts into biological scaffolds and are among the most promising strategies in the quest …

Modern enzyme development relies to an increasing extent on strategies based on diversity
generation followed by screening for variants with optimised properties. In principle, these …

Many computational enzyme design approaches have been developed in recent years that
focus on a reduced set of key enzymatic features. Initial protocols mostly focused on the …

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 …

Designing efficient enzymes is a formidable challenge at the forefront of modern
biocatalysis. Here, we review recent developments in the field and illustrate how the …

Recently, there has been an increase in the demand for enzymes with modified activity,
specificity, and stability. Enzyme engineering is an important tool to meet the demand for …

Protein engineering techniques have been available for over two decades beginning with
the development of methods for genetic engineering. Since that time, the engineering of …

Recent work has demonstrated that computational enzyme design can generate active
catalysts. 1–3 Although the progress is encouraging, the future will be brighter for this new …

Highlights•Enzymes are increasingly used in technological applications but often require
prior optimization.•Computational tools save time and effort in protein engineering …

Highlights•Optimization plateaus are common when engineering enzymes for higher
catalytic efficiency.•These plateaus relate to fundamental properties of evolutionary fitness …