The conformation of the H3 loop is considered to be a major challenge in atomistic modeling of antibody structure. Previous studies have shown that it is easier to model the H3 loop in the presence of the antigen. This presents a chicken and egg problem where we need to know where the antibody binds the antigen before we can model the H3 loop, but it is presumed we need to model the H3 loop to predict how the antibody binds. I examine whether accurate modeling of the H3 loop is necessary for protein-protein docking to predict how an antibody binds an antigen.

Atomistic modeling of H3 loops: Is it necessary for protein-protein docking?

251st National Meeting (2016)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.