Motivation: Design of protein–protein interaction (PPI) inhibitors is a major challenge in
Structural Bioinformatics. Peptides, especially short ones (5–15 amino acid long), are …

Designing peptides for protein–protein interaction inhibition is of significant interest in
computer‐aided drug design. Such inhibitory peptides could mimic and compete with the …

Protein-protein interactions play crucial and subtle roles in many biological processes and
modifications of their fine mechanisms generally result in severe diseases. Peptide …

There is a wide interest in designing peptides able to bind to a specific region of a protein
with the aim of interfering with a known interaction or as starting point for the design of …

The recent focus on protein-protein interaction networks has increasingly been shifted
towards the disruption of protein complexes, which either are mediated by the binding of a …

In this work the hybrid Ant Colony Optimization (ACO)[1] algorithm PLANTS [2][3][4](Protein-
Ligand ANT System) for the task of structure-and ligand-based drug design is introduced …

A central part of the rational drug development process is the prediction of the complex
structure of a small ligand with a protein, the so-called protein-ligand docking problem, used …

Peptides and peptidomimetics are strongly re-emerging as amenable candidates in the
development of therapeutic strategies against a plethora of pathologies. In particular, these …

Protein‐protein interactions (PPIs) play a central and crucial role in almost every cellular
process. Understanding the structural basis of protein‐protein interactions can lead to the …

Standard docking approaches used for the prediction of protein–ligand complexes in the
drug development process have problems identifying the correct binding mode of large …