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 …

Protein interactions define the homeostatic state of the cell. Our ability to understand these
interactions and their role in both health and disease is tied to our knowledge of the 3D …

Protein–protein complexes orchestrate most cellular processes such as transcription, signal
transduction and apoptosis. The factors governing their affinity remain elusive however …

Motivation Protein complexes play critical roles in many aspects of biological functions.
Three-dimensional (3D) structures of protein complexes are critical for gaining insights into …

Background Protein-protein docking, which aims to predict the structure of a protein-protein
complex from its unbound components, remains an unresolved challenge in structural …

Inaccuracies in computational molecular modeling methods are often counterweighed by
brute‐force generation of a plethora of putative solutions. These are then typically sieved via …

Cellular functions are governed by proteins, and, while some proteins work independently,
most work by interacting with other proteins. As a result it is crucially important to know the …

Information‐driven docking is currently one of the most successful approaches to obtain
structural models of protein interactions as demonstrated in the latest round of CAPRI. While …

High-resolution structural information is needed in order to unveil the underlying
mechanistic of biomolecular function. Due to the technical limitations or the nature of the …

Protein‐protein interactions are abundant in the cell but to date structural data for a large
number of complexes is lacking. Computational docking methods can complement …