Previously, we published an article providing an overview of the Rosetta suite of
biomacromolecular modeling software and a series of step-by-step tutorials [Kaufmann, KW …

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

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

The RosettaCarbohydrate framework is a new tool for modeling a wide variety of saccharide
and glycoconjugate structures. This report describes the development of the framework and …

While the capsaicin receptor transient receptor potential vanilloid 1 (TRPV1) channel is a
polymodal nociceptor for heat, capsaicin, and protons, the channel's responses to each of …

Antibody–antigen interactions are critical to our immune response, and understanding the
structure-based biophysical determinants for their binding specificity and affinity is of …

To signal, Ras isoforms must be enriched at the plasma membrane (PM). It was suggested
that phosphodiesterase-δ (PDEδ) can bind and shuttle some farnesylated Ras isoforms to …

Protein-RNA complexes provide a wide range of essential functions in the cell. Their atomic
experimental structure solving, despite essential to the understanding of these functions, is …

Abstract Critical Assessment of PRediction of Interactions (CAPRI) rounds 37 through 45
introduced larger complexes, new macromolecules, and multistage assemblies. For these …

ABSTRACT CAPRI rounds 28 and 29 included, for the first time, peptide‐receptor targets of
three different systems, reflecting increased appreciation of the importance of peptide …