In biology, enzymes have evolved over millions of years to drive chemical reactions. Scientists from the Max Planck Institute for Dynamics and Self-Organization (MPI-DS) have now derived universal rules to enable the de novo design of optimal enzymes.

Amino-acid residues distant from an enzyme’s active site are known to influence catalysis, but their mechanistic contributions to the catalytic cycle remain poorly understood. Here, we investigate the...

Researchers have developed a workflow to design enzymes from scratch — enabling greener chemistry, novel reactions, and tailor-made catalysts that rival nature’s best.

The TIM barrel is the most prevalent fold in natural enzymes, supporting efficient catalysis of diverse chemical reactions. While de novo TIM barrels have been successfully designed, their minimalisti...