Modeling Antibody-Antigen Complexes using Integrative Approach

Knowledge of the epitope is an important factor in antibody selection process. On one hand, X-ray crystallography or NMR spectroscopy provide atomic resolution structures but the data collection process is typically long and the success rate is low. On the other hand, computational methods for modeling assembly structures from individual components frequently suffer from high false positive rate, rarely resulting in a unique solution. We developed a combined approach that computationally integrates data from a variety of fast and accessible experimental techniques for rapid and accurate structure determination of antibody-antigen complexes. We applied the method for several antibody-antigen complexes using Small Angle X-ray scattering and negative stain Electron Microscopy.