Antibody–Antigen Docking

Profacgen employs computational docking techniques to search all possible binding modes in the translational and rotational space between an antibody (Fv, Fab, or full antibody) and its antigen, with modeling of conformational changes of the variable loops upon complex formation. This is an important means for understanding the physicochemical forces that underlie macromolecular interactions, and a working hypothesis can be build based on the docked complex, guiding further experiments for the rational design of antibody-based therapeutics.