Predicting the binding mode of flexible polypeptides to proteins is an important task that falls
outside the domain of applicability of most small molecule and protein–protein docking tools …

Protein–peptide interactions play a crucial role in many cellular and biological functions,
which justify the increasing interest in the development of peptide-based drugs. However …

Given the importance of peptide-mediated protein interactions in cellular processes, protein–
peptide docking has received increasing attention. Here, we have developed a H ierarchical …

Protein-peptide interactions are vital for the cell. They mediate, inhibit or serve as structural
components in nearly 40% of all macromolecular interactions, and are often associated with …

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 …

With increasing interest in peptide-based therapeutics also the application of computational
approaches such as peptide docking has gained more and more attention. In order to …

An important issue in developing protein–ligand docking methods is how to incorporate
receptor flexibility. Consideration of receptor flexibility using an ensemble of precompiled …

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

CABS-dock standalone is a multiplatform Python package for protein–peptide docking with
backbone flexibility. The main feature of the CABS-dock method is its ability to simulate …

Protein–peptide docking, which predicts the complex structure between a protein and a
peptide, is a valuable computational tool in peptide therapeutics development and the …