Highlights•Enzymes are increasingly used in technological applications but often require
prior optimization.•Computational tools save time and effort in protein engineering …

Bacteria encode myriad defences that target the genomes of infecting bacteriophage,
including restriction–modification and CRISPR–Cas systems. In response, one family of …

Antibodies play an important role in the immune system by binding to molecules called
antigens at their respective epitopes. These interfaces or epitopes are structural entities …

Maintenance of NAD pools is critical for neuronal survival. The capacity to maintain NAD
pools declines in neurodegenerative disease. We identify that low NMNAT2, the critical …

Protein loops play a critical role in the dynamics of proteins and are essential for numerous
biological functions, and various computational approaches to loop modeling have been …

Antibodies are critical components of adaptive immunity, binding with high affinity to
pathogenic epitopes. Antibodies undergo rigorous selection to achieve this high affinity, yet …

With advances in protein structure predictions, the number of available high-quality
structures has increased dramatically. In light of these advances, structure-based enzyme …

The transplantation of loops between structurally related proteins is a compelling method to
improve the activity, specificity and stability of enzymes. However, despite the interest of loop …

Inherited bleeding disorders such as Glanzmann thrombasthenia (GT) lack prophylactic
treatment options. As a result, serious bleeding episodes are treated acutely with blood …

Peptides have recently regained interest as therapeutic candidates, but their development
remains confronted with several limitations including low bioavailability. Backbone head-to …