Antibodies (or immunoglobulins) are crucial for defending organisms from pathogens, but they are also key players in many medical, diagnostic and biotechnological applications. The ability to predict their structure and the specific residues involved in antigen recognition has several useful applications in all of these areas. Over the years, we have developed or collaborated in developing a strategy that enables researchers to predict the 3D structure of antibodies with a very satisfactory accuracy. The strategy is completely automated and extremely fast, requiring only a few minutes (∼10 min on average) to build a structural model of an antibody. It is based on the concept of canonical structures of antibody loops and on our understanding of the way light and heavy chains pack together.
Marcatili, P., Olimpieri, P. P., Chailyan, A., & Tramontano, A. (2014). Antibody structural modeling with prediction of immunoglobulin structure (PIGS). Nature Protocols, 9(12), 2771-2783. https://doi.org/10.1038/nprot.2014.189