The challenge of activating inert C–H bonds motivates a study of catalysts that draws from
what can be accomplished by natural enzymes and translates these advantageous features …

Peptide side chain cross-linking is an important feature of many natural products, with an
increasing number of examples catalyzed by cytochrome P450s being reported from …

Novel coronavirus SARS-CoV-2 has infected millions of people with thousands of mortalities
globally. The main protease (Mpro) is vital in processing replicase polyproteins. Both the …

Hydrogen bonds (HBs) play an essential role in the structure and catalytic action of
enzymes, but a complete understanding of HBs in proteins challenges the resolution of …

Translation is a tightly regulated process that ensures optimal protein quality and enables
adaptation to energy/nutrient availability. The α-kinase eukaryotic elongation factor 2 kinase …

We investigate unexpectedly short non-covalent distances (< 85% of the sum of van der
Waals radii) in X-ray crystal structures of proteins. We curate over 11 000 high-quality …

The current work is undertaken to elucidate the interaction between L-Threonine and
Metformin (a type2 diabetes drug) using the theoretical method as well as the experimental …

Histidine (His) stands out as the most versatile natural amino acid due to its side chain's
facile propensity to protonate at physiological pH, leading to a transition from aromatic to …

An essential amino acid, histidine, has a vital role in the secondary structure and catalytic
activity of proteins because of the diverse interactions its side chain imidazole (Im) ring can …

The delicate interplay of covalent and non‐covalent interactions in proteins is inherently
quantum mechanical and highly dynamic in nature. To directly interrogate the evolving …