Highlights•Structure-based strategies allow more-specific targeting of protein–protein
interactions (PPIs).•Interfering peptides (IPs) become a promising alternative to small …

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 …

Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …

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

Structure-based drug design (SBDD) is a prominent method in rational drug development
and has traditionally benefitted from the atomic models of protein targets obtained using X …

Small-angle X-ray scattering (SAXS) is a method for examining the solution structure,
oligomeric state, conformational changes, and flexibility of biomacromolecules at a scale …

An accurate account of disordered protein conformations is of central importance to
deciphering the physicochemical basis of biological functions of intrinsically disordered …

Highlights•Computational docking methods can provide relevant structural data on protein
complexes.•Template-based docking and integrative modeling are currently the most …

Computational protein–protein docking is one of the most intensively studied topics in
structural bioinformatics. The field has made substantial progress through over three …

Ribonucleoprotein complexes (RNPs) are central to all processes in the cell. One of the
prerequisites to understand how RNPs work is to determine their high-resolution structures …