Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design

Clara T. Schoeder, Samuel Schmitz, Jared Adolf-Bryfogle, Alexander M. Sevy, Jessica A. Finn, Marion F. Sauer, Nina G. Bozhanova, Benjamin K. Mueller, Amandeep K. Sangha, Jaume Bonet, Jonathan H. Sheehan, Georg Kuenze, Brennica Marlow, Shannon T. Smith, Hope Woods, Brian J. Bender, Cristina E. Martina, Diego Del Alamo, Pranav Kodali, Alican GulsevinWilliam R. Schief, Bruno E. Correia, James E. Crowe, Jens Meiler, Rocco Moretti

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


Structure-based antibody and antigen design has advanced greatly in recent years, due not only to the increasing availability of experimentally determined structures but also to improved computational methods for both prediction and design. Constant improvements in performance within the Rosetta software suite for biomolecular modeling have given rise to a greater breadth of structure prediction, including docking and design application cases for antibody and antigen modeling. Here, we present an overview of current protocols for antibody and antigen modeling using Rosetta and exemplify those by detailed tutorials originally developed for a Rosetta workshop at Vanderbilt University. These tutorials cover antibody structure prediction, docking, and design and antigen design strategies, including the addition of glycans in Rosetta. We expect that these materials will allow novice users to apply Rosetta in their own projects for modeling antibodies and antigens.

Original languageEnglish
Pages (from-to)825-846
Number of pages22
Issue number11
StatePublished - Mar 23 2021


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