Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …

In entrapment an active species, which is often a catalyst, is trapped within a material by a
solid or gel forming event; thus, it becomes dispersed within the solid or semi-solid matrix …

First variants of the Klebsiella pneumoniae carbapenemase (KPC), KPC-2 and KPC-3, have
encountered a worldwide success, particularly in K. pneumoniae isolates. These beta …

Protein design has come of age, but how will it mature? In the 1980s and the 1990s, the
primary motivation for de novo protein design was to test our understanding of the …

Increasing the temperature by just a few degrees may lead to structural perturbation or
unfolding of the protein and consequent loss of function. The concepts of flexibility and …

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 …

Microelectronic morphogenesis is the creation and maintenance of complex functional
structures by microelectronic information within shape‐changing materials. Only recently …

Activation heat capacity is emerging as a crucial factor in enzyme thermoadaptation, as
shown by the non-Arrhenius behaviour of many natural enzymes. However, its physical …

Autonomous computations that rely on automated reaction network elucidation algorithms
may pave the way to make computational catalysis on a par with experimental research in …

Ras GTPases play a crucial role in cell signaling pathways. Mutations of the Ras gene occur
in about one third of cancerous cell lines and are often associated with detrimental clinical …