Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …

The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

There has been considerable recent progress in protein structure prediction using deep
neural networks to predict inter-residue distances from amino acid sequences,–. Here we …

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 …

Coronaviruses (CoVs) stand out among RNA viruses because of their unusually large
genomes (∼ 30 kb) associated with low mutation rates. CoVs code for nsp14, a bifunctional …

INTRODUCTION Antibodies that bind tightly to targets of interest play central roles in
biological research and medicine. Clusters of antibodies, typically generated by fusing …

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 …

Arrestins comprise a family of signal regulators of G-protein-coupled receptors (GPCRs),
which include arrestins 1 to 4. While arrestins 1 and 4 are visual arrestins dedicated to …

P2X receptors are trimeric, non-selective cation channels activated by extracellular ATP. The
P2X 7 receptor subtype is a pharmacological target because of involvement in apoptotic …

Despite efforts for over 25 years, de novo protein design has not succeeded in achieving the
TIM-barrel fold. Here we describe the computational design of four-fold symmetrical (β/α) 8 …