Nature achieves differentiation of specific and nonspecific binding in molecular interactions
through precise control of biomolecules in space and time. Artificial systems such as …

Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial
biological processes and even design compounds that interfere with PPIs with …

Motivation: Mutations play fundamental roles in evolution by introducing diversity into
genomes. Missense mutations in structural genes may become either selectively …

Blocking protein-protein interactions (PPI) using small molecules or peptides modulates
biochemical pathways and has therapeutic significance. PPI inhibition for designing drug …

Pyroptosis, a recently identified type of cell death, and apoptosis are fundamental and
complex biological processes that underlie a multitude of diseases. However, the crosstalk …

Protein–Protein binding affinity reflects the binding strength between the binding partners.
The prediction of protein–protein binding affinity is important for elucidating protein functions …

Nucleic acids have been widely recognized as potential targets in drug discovery and
aptamer selection. Quantifying the interactions between small molecules and nucleic acids …

A minimal model of protein–protein binding affinity that takes into account only two structural
features of the complex, the size of its interface, and the amplitude of the conformation …

We uncovered the universal statistical laws for the biomolecular recognition/binding
process. We quantified the statistical energy landscapes for binding, from which we can …

Biomolecular recognition usually leads to the formation of binding complexes, often
accompanied by large-scale conformational changes. This process is fundamental to …