AlphaFold has burst into our lives. A powerful algorithm that underscores the strength of
biological sequence data and artificial intelligence (AI). AlphaFold has appended projects …

All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

Conspectus Are all protein interactions fully optimized? Do suboptimal interactions
compromise specificity? What is the functional impact of frustration? Why does evolution not …

The properties of unfolded proteins have long been of interest because of their importance
to the protein folding process. Recently, the surprising prevalence of unstructured regions or …

Sulfur has been important in dynamic covalent chemistry (DCC) since the beginning of the
field. Mainly as part of disulfides and thioesters, dynamic sulfur‐based bonds (DSBs) have a …

Staphylococcus aureus is a deadly human bacterial pathogen that causes a wide variety of
clinical manifestations. Invasive S. aureus infections in hospitals and the community are one …

Proteins perform their biological functions through motion. Although high throughput
prediction of the three-dimensional static structures of proteins has proved feasible using …

Highlights•Improvements in all-atom simulations and implicit solvent models now allow IDP
simulations with realistic dimensions to be performed.•Native-centric coarse-grained …

The protein frustratometer is an energy landscape theory-inspired algorithm that aims at
localizing and quantifying the energetic frustration present in protein molecules. Frustration …

Experimental, theoretical, and computational studies of small proteins suggest that
interresidue contacts not present in the folded structure play little or no role in the self …