The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

Integrative structure determination is a powerful approach to modeling the structures of
biological systems based on data produced by multiple experimental and theoretical …

Pseudomonas aeruginosa infections are becoming increasingly difficult to treat due to
intrinsic antibiotic resistance and the propensity of this pathogen to accumulate diverse …

In recent years, the use of integrative, information-driven computational approaches for
modeling the structure of biomolecules has been increasing in popularity. These are now …

Integrative modeling enables structure determination of macromolecular complexes by
combining data from multiple experimental sources such as X-ray crystallography, electron …

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

Knowledge of protein structure is paramount to the understanding of biological function,
developing new therapeutics, and making detailed mechanistic hypotheses. Therefore …

Highlights•Coarse graining allows to model multi-protein aggregates of very large
scale.•Knowledge-based approaches promise to improve protein–protein interface …

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 docking programs can give valuable insights into the structure of protein
complexes in the absence of an experimental complex structure. Web interfaces can …