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

Most proteins perform their biological function by interacting with themselves or other
molecules. Thus, one may obtain biological insights into protein functions, disease …

Over the past decade, the Rosetta biomolecular modeling suite has informed diverse
biological questions and engineering challenges ranging from interpretation of low …

Heterodimerization of the metabotropic glutamate receptors (mGlus) has shown importance
in the functional modulation of the receptors and offers potential drug targets for treating …

We have recently completed a full rearchitecturing of the Rosetta molecular modeling
program, generalizing and expanding its existing functionality. The new architecture enables …

Proteolysis-targeting chimeras (PROTACs), which induce degradation by recruitment of an
E3 ligase to a target protein, are gaining much interest as a new pharmacological modality …

Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and
widely used molecular simulation program. It has been developed over the last three …

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

The chemokine receptor CCR5 plays a vital role in immune surveillance and inflammation.
However, molecular details that govern its endogenous chemokine recognition and receptor …

A structural-bioinformatics-based computational methodology and framework have been
developed for the design of antibodies to targets of interest. RosettaAntibodyDesign (RAbD) …