Protein–protein interactions (PPIs) execute many fundamental cellular functions and have
served as prime drug targets over the last two decades. Interfering intracellular PPIs with …

Drug discovery utilizes chemical biology and computational drug design approaches for the
efficient identification and optimization of lead compounds. Chemical biology is mostly …

Recently, a novel coronavirus (SARS‐COV‐2) emerged which is responsible for the recent
outbreak in Wuhan, China. Genetically, it is closely related to SARS‐CoV and MERS‐CoV …

Identifying the protein–peptide binding residues is fundamentally important to understand
the mechanisms of protein functions and explore drug discovery. Although several …

Motivation Identifying the functional sites of a protein, such as the binding sites of proteins,
peptides, or other biological components, is crucial for understanding related biological …

Protein–peptide interactions are involved in a wide range of biological processes and are
attractive targets for therapeutic purposes because of their small interfaces. Therefore …

Highlights•We provide an overview of protein-peptide docking methods and their
applications.•Peptide docking tools can be divided on template-based, local and global …

Peptide-protein interactions contribute a significant fraction of the protein-protein
interactome. Accurate modeling of these interactions is challenging due to the vast …

Protein–peptide interactions play essential functional roles in living organisms and their
structural characterization is a hot subject of current experimental and theoretical research …

There is a growing interest in the mechanisms and the prediction of how flexible peptides
bind proteins, often in a highly selective and conserved manner. While both existing small …