The challenging field of de novo enzyme design is beginning to produce exciting results.
The application of powerful computational methods to functional protein design has recently …

Computational enzyme design has emerged as a promising tool for generating made-to-
order biocatalysts. In addition to improving the reliability of the design cycle, current efforts in …

Current computational tools to assist experimentalists for the design and engineering of
proteins with desired catalytic properties are reviewed. The applications of these tools for de …

Computational protein design is becoming a powerful tool for tailoring enzymes for specific
biotechnological applications. When applied to existing enzymes, computational re‐design …

Directed evolution has now been used for over two decades as an alternative to rational
design for protein engineering. Protein function, however, is complex, and modifying …

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 …

In the past decade methods of directed molecular evolution have proven revolutionary in
protein engineering. An increasing number of powerful new combinatorial techniques have …

Site-directed mutagenesis is still a very efficient strategy to elaborate improved enzymes.
Recently, advances have been made in developing rational strategies aimed at reshaping …

The past decade has seen a revolution in our ability to engineer designer enzymes using
genetic tools that mimic evolution on a laboratory timescale. Many excellent examples of …

Highlights•The most recent developments of de novo enzyme design (methodologies and
applications) are reported.•The different chemical reactions for which de novo enzymes …