Interactions between proteins are orchestrated in a precise and time-dependent manner,
underlying cellular function. The binding affinity, defined as the strength of these …

The goal of this article is to summarize what has been learned about the major forces
stabilizing proteins since the late 1980s when site-directed mutagenesis became possible …

Nature provides many examples of self-and co-assembling protein-based molecular
machines, including icosahedral protein cages that serve as scaffolds, enzymes, and …

Almost all critical functions in cells rely on specific protein–protein interactions.
Understanding these is therefore crucial in the investigation of biological systems. Despite …

We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers …

We describe a general computational method for designing proteins that self-assemble to a
desired symmetric architecture. Protein building blocks are docked together symmetrically to …

We present the sixth report evaluating the performance of methods for predicting the atomic
resolution structures of protein complexes offered as targets to the community‐wide initiative …

Advances in a scientific discipline are often measured by small, incremental steps. In this
review, we report on two intertwined disciplines in the protein structure prediction field …

New molecular modeling approaches, driven by rapidly improving computational platforms,
have allowed many success stories for the use of computer-assisted drug design in the …

Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …