Protein–protein recognition plays an essential role in structure and function. Specific non-
covalent interactions stabilize the structure of macromolecular assemblies, exemplified in …

Proteins interact with each other in a highly specific manner, and protein interactions play a
key role in many cellular processes; in particular, the distortion of protein interfaces may lead …

Cellular processes often depend on interactions between proteins and the formation of
macromolecular complexes. The impairment of such interactions can lead to deregulation of …

Therapeutic proteins such as antibodies constitute the most rapidly growing class of
pharmaceuticals for use in diverse clinical settings including cancer, chronic inflammatory …

Motivation: All residues in a protein are not equally important. Some are essential for the
proper structure and function of the protein, whereas others can be readily replaced …

Analysis of proteins commonly requires the partition of their structure into regions such as
the surface, interior, or interface. Despite the frequent use of such categorization, no …

Hot spots constitute a small fraction of protein–protein interface residues, yet they account
for a large fraction of the binding affinity. Based on our previous method (KFC), we present …

Motivation: Hot spots are residues comprising only a small fraction of interfaces yet
accounting for the majority of the binding energy. These residues are critical in …

The formation of protein-protein complexes is essential for proteins to perform their
physiological functions in the cell. Mutations that prevent the proper formation of the correct …

Identification of drug-like small molecules that alter protein–protein interactions might be a
key step in drug discovery. However, it is very challenging to find such molecules that target …