The amino acid sequence of a protein affects both its structure and its function. Thus, the
ability to modify the sequence, and hence the structure and activity, of individual proteins in …

Abstract Haloalkane dehalogenases (EC 3.8. 1.5, HLDs) are α/β‐hydrolases which act to
cleave carbon‐halogen bonds. Due to their unique catalytic mechanism, broad substrate …

The computational study of enantioselective reactions is a challenging task that requires
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …

The variety of halogenated substances and their derivatives widely used as pesticides,
herbicides and other industrial products is of great concern due to the hazardous nature of …

Abstract Enzymes offering chemo-, regio-, and stereoselectivity enable the asymmetric
synthesis of high-value chiral molecules. Unfortunately, the drawback that naturally …

Millions of protein sequences are being discovered at an incredible pace, representing an
inexhaustible source of biocatalysts. Here, we describe an integrated system for automated …

Many enzymes contain tunnels and gates that are essential to their function. Gates
reversibly switch between open and closed conformations and thereby control the traffic of …

An enzyme's substrate specificity is one of its most important characteristics. The quantitative
comparison of broad-specificity enzymes requires the selection of a homogenous set of …

Haloalkane dehalogenases (HLDs) are enzymes that catalyze the cleavage of carbon–
halogen bonds by a hydrolytic mechanism. Although comparative biochemical analyses …

Ancestral sequence reconstruction (ASR) represents a powerful approach for empirical
testing structure‐function relationships of diverse proteins. We employed ASR to predict …