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

Motivation Binding-induced conformational changes challenge current computational
docking algorithms by exponentially increasing the conformational space to be explored. To …

Antibodies are important immune molecules with high commercial value and therapeutic
interest because of their ability to bind diverse antigens. Computational prediction of antibody …

The 28th–35th rounds of the Critical Assessment of PRotein Interactions (CAPRI) served as
a practical benchmark for our RosettaDock protein–protein docking protocols, highlighting …

We describe Rosetta-based computational protocols for predicting the 3D structure of an
antibody from sequence (RosettaAntibody) and then docking the antibody to protein antigens (…

The branched chain amino acids (BCAA) valine, leucine and isoleucine have been implicated
in a number of diseases including obesity, insulin resistance, and type 2 diabetes mellitus, …

We present the results for CAPRI Round 30, the first joint CASP‐CAPRI experiment, which
brought together experts from the protein structure prediction and protein–protein docking …

Antibody Modeling Assessment II (AMA‐II) provided an opportunity to benchmark RosettaAntibody
on a set of 11 unpublished antibody structures. RosettaAntibody produced accurate, …

Computational prediction of protein-protein complex structures facilitates a fundamental
understanding of biological mechanisms and enables drug design. Binding-induced backbone …

Protein-protein interactions underlie countless biological functions, the nature of which is
determined by the structure of the protein complex. Computational modeling is and important …