Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …

Protein–protein interactions (PPIs) govern numerous cellular functions in terms of signaling,
transport, defense and many others. Designing novel PPIs poses a fundamental challenge …

Computational protein design requires methods to accurately estimate free energy changes
in protein stability or binding upon an amino acid mutation. From the different approaches …

Predicting the structure and thermodynamics of protein–protein interactions (PPIs) are key to
a proper understanding and modulation of their function. Since experimental methods might …

Highlights•Search strategies of current protein–protein docking algorithms were
reviewed.•Challenges and future directions of established approaches were discussed.•Post …

Protein–protein docking is an important computational tool for predicting protein–protein
interactions. With the rapid development of proteomics projects, more and more …

Progress in technology and algorithms throughout the past decade has transformed the field
of protein design and engineering. Computational approaches have become well-engrained …

Our ability to design completely de novo proteins is improving rapidly. This is true of all three
main approaches to de novo protein design, which we define as: minimal, rational and …

A core concept behind modern drug discovery is finding a small molecule that modulates a
function of a target protein. This concept has been successfully applied since the mid-1970s …

Highlights•The development and trend of global protein–protein docking was briefly
reviewed.•18 global docking/scoring protocols were assessed on the latest docking …