According to emerging studies, the excessive activation of microglia and the subsequent
release of pro-inflammatory cytokines play important roles in the pathogenesis and …

Molecular glues are a class of small molecules that stabilize the interactions between
proteins. Naturally occurring molecular glues are present in many areas of biology where …

Small‐molecule stabilization of protein‐protein interactions (PPIs) is a promising strategy in
chemical biology and drug discovery. However, the systematic discovery of PPI stabilizers …

The process of designing biomolecules, in particular proteins, is witnessing a rapid change
in available tooling and approaches, moving from design through physicochemical force …

ChemShell is a scriptable computational chemistry environment with an emphasis on
multiscale simulation of complex systems using combined quantum mechanical and …

Lysine-selective molecular tweezers (MTs) are supramolecular host molecules displaying a
remarkably broad spectrum of biologic activities. MTs act as inhibitors of the self-assembly …

Protein-protein interactions (PPIs) mediate a variety of cellular processes and form complex
networks, where connectivity is achieved owing to the “hub” proteins whose interaction with …

Stabilization of protein–protein interactions (PPIs) holds great potential for therapeutic
agents, as illustrated by the successful drugs rapamycin and lenalidomide. However, how …

Here, we provide the first structural characterization of host–guest complexation between
cucurbit [7] uril (Q7) and dimethyllysine (KMe2) in a model protein. Binding was dominated …

Regulation of specific protein function is of great importance for both research and
therapeutic development. Many small or large molecules have been developed to control …