The ability to design efficient enzymes from scratch would have a profound effect on
chemistry, biotechnology and medicine. Rapid progress in protein engineering over the past …

In the early 2000s, Tawfik presented his 'New View'on enzyme evolution, highlighting the
role of conformational plasticity in expanding the functional diversity of limited repertoires of …

Regenerable nanozymes with high catalytic stability and sustainability are promising
substitutes for naturally-occurring enzymes but are limited by insufficient and non-selective …

Ketones are crucial intermediates in synthesis and frequent moieties in many products. The
direct regioselective synthesis of ketones from internal alkenes could simplify synthetic …

In nature, the oxygen reduction reaction (ORR) is catalyzed by cytochrome P450 (CYP)
enzymes containing heme iron centers with an axial thiolate ligand (FeN4‐S), which are …

A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …

QM/MM simulations have become an indispensable tool in many chemical and biochemical
investigations. Considering the tremendous degree of success, including recognition by a …

Protein functions are dynamically regulated by allostery, which enables conformational
communication even between faraway residues, and expresses itself in many forms, akin to …

The design and improvement of enzymes based on physical principles remain challenging.
Here we demonstrate that the principle of electrostatic catalysis can be leveraged to …

Enzyme evolution is characterized by constant alterations of the intramolecular residue
networks supporting their functions. The rewiring of these network interactions can give rise …