Antibody-Antigen Interaction Prediction

The interaction of antigen and antibody is the basis of immunochemical technology. As an effective research tool, antibodies need to know how the antibody binds to the corresponding antigen. The characteristics of the interaction between antigen and antibody mainly have the following three points.

1. Specificity of antigen and antibody binding

The interaction between antigen and antibody molecules, namely affinity, includes four types: Hydrogen bond, ionic bond, Hydrophobic interactions, and van der Waals interactions.

2. Reversibility of antigen and antibody binding

Affinity is used to determine the strength of epitope and antibody binding. The non-covalent bond between antigen and antibody is reversible.

3. The relationship between the amount of antigen and antibody response

Avidity refers to the overall stability of the antigen-antibody complex. The overall strength of the antibody-antigen interaction is controlled by three factors: the intrinsic affinity of the antibody to the epitope, the valence of the antibody and the antigen, and the three-dimensional structure of the components involved in the reaction. Antibodies have multivalent binding ability, in which IgG and most IgA are bivalent, and IgM is decavalent. Antigens can be multivalent or monovalent.

Overall solutions

The main focus of analyzing the basis of the Ag recognition structure is to determine the exact boundary of the CDR in a given Ab. The usual practice is to identify the paratope by identifying the CDR. However, some studies in recent years have shown that not all positions in the traditionally defined CDR are important for binding, and some positions that play a key role in binding are outside the transitional CDR. CD ComputaBio detects its relationship with the Ag interface by predicting the entire Ab structure.

CD ComputaBio provide a docking method for antibody Ab to recognize antigen Ag. Based on Rosetta's calculation protocol, it is used to predict the three-dimensional structure of the antibody from the sequence, and then dock the antibody with the protein antigen. Antibody modeling uses standardized loop conformations to graft large fragments from experimentally determined structures and perform energy calculations to minimize loops. Our docking method improves the relative orientation of VL-VH and can predict the difficult-to-determine CDR H3 loop from the beginning. In order to reduce the uncertainty of the model, the antibody-antigen docking resamples the CDR loop conformation, and multiple models can be used to represent the conformation set of the antibody, antigen.


CD ComputaBio can provide different docking methods, such as ZDOCK, RDOCK, Flexible docking. In addition, we can optimize the docking results through molecular dynamics (MD) to obtain a high-precision recognition model.

Why choose us?

  • CD ComputaBio has extensive knowledge and experience in antibody-antigen interaction prediction service.
  • CD ComputaBio will complete your project on time and efficiently and meet your requirements.
  • CD ComputaBio has established a professional after-sales service team to provide customers with efficient, fast, practical and feasible solutions.
  • CD ComputaBio has in-depth cooperation with many pharmaceutical companies and research institutes, and has extensive experience in providing them with high-quality services.

Our services

Project name Antibody-antigen interaction prediction
Our services CD ComputaBio offers antibody-antigen interaction prediction service to meet the specific needs of different customers.
Timeline Decide according to your needs.
Deliverable We provide you with raw data and prediction results.
Price Inquiry

CD ComputaBio provides professional antibody-antigen interaction prediction to meet the specific needs of regular customers on time and according to budget. CD ComputaBio relies on world-class technical expertise, we provide customers with the best quality one-stop antibody-antigen interaction prediction service, including the development of scientific procedures according to different solution needs. Please feel free to contact us for more detailed information, our scientists will tailor the most reasonable plan for your project. If you want to know more service prices or technical details, please feel free to contact us.

* For Research Use Only.