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 …

The biomolecular modeling field has flourished since its early days in the 1970s due to the
rapid adaptation and tailoring of state-of-the-art technology. The resulting dramatic increase …

Protein structure prediction can be used to determine the three-dimensional shape of a
protein from its amino acid sequence. This problem is of fundamental importance as the …

Unsupervised contact prediction is central to uncovering physical, structural, and functional
constraints for protein structure determination and design. For decades, the predominant …

Computational prediction of protein structure from sequence is broadly viewed as a
foundational problem of biochemistry and one of the most difficult challenges in …

Predicting protein structure from sequence is a central challenge of biochemistry. Co-
evolution methods show promise, but an explicit sequence-to-structure map remains …

Despite decades of work by structural biologists, there are still~ 5200 protein families with
unknown structure outside the range of comparative modeling. We show that Rosetta …

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 …

Sequence-based contact prediction has shown considerable promise in assisting non-
homologous structure modeling, but it often requires many homologous sequences and a …

We present the results for CAPRI Round 54, the 5th joint CASP‐CAPRI protein assembly
prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo …