Antibody-Antigen Docking Service
The Antibody-Antigen Docking Service is a crucial tool in modern biomedical research. It allows for in-depth exploration of how antibodies bind to their specific antigens, which is fundamental for understanding immune responses and developing new treatments. CD ComputaBio's docking service is designed to aid researchers in their quest to develop more efficient and effective therapeutics.
Introduction to Antibody-Antigen Docking
Antibodies are proteins produced by the immune system, specifically B cells, in response to foreign antigens. These antigens can be pathogens such as viruses and bacteria, or they can be components of these pathogens, such as toxins. The specific binding between antibodies and antigens is crucial for the immune response, as it leads to the neutralization of pathogens and marks them for destruction by other immune cells.
Figure 1. Antibody-Antigen Docking Service.( Jin W , et al. 2022)
Our Services
Our Antibody-Antigen Docking Service is designed to provide researchers with accurate and detailed insights into the binding mechanisms between antibodies and antigens. By leveraging advanced computational techniques and biological knowledge, we help accelerate the research and development process in immunology-related fields.
Workflow of Antibody-Antigen Docking
Step 1. Antibody and Antigen Structure Acquisition
We work with you to obtain the structures of the antibody and antigen. If the structures are experimentally determined (e.g., from X-ray crystallography or NMR spectroscopy), we ensure that the data is in a suitable format for analysis. For cases where the structures are not known, we can assist in homology modeling service and antibody modeling service.
Step 2. Antibody-Antigen Docking Simulation
During the docking simulation, we consider all relevant intermolecular interactions, including hydrogen bonds, electrostatic interactions, hydrophobic interactions, and van der Waals forces. Our algorithms explore a vast number of possible binding conformations to identify the most likely binding modes.
Step 3. Result Analysis and Validation
After the docking simulation, we conduct an initial screening of the generated results. We use a combination of criteria, such as binding energy and the presence of key interaction residues, to filter out unlikely binding conformations.
Advanced Docking Methods
An array of state-of-the-art docking methodologies was developed to cater to the wide-ranging requirements of our clients. These innovative techniques are meticulously crafted to manage diverse protein-small molecule complexes, taking into account their distinct levels of structural flexibility and interaction modalities.
| Flexible Docking |
Induced Fit Docking |
Reverse Docking |
| Antibodies and antigens often have flexible regions. Our flexible docking service is designed to handle the docking scenarios where flexibility is crucial. It can precisely account for conformational changes during the binding process. |
The binding of antibodies and antigens may induce conformational changes in both molecules. Our service comes in handy when you know the structure of one molecule, and aim to identify potential binding partners like antibodies. |
Our reverse docking service comes in handy when you know the structure of one molecule, such as an antigen, and aim to identify potential binding partners like antibodies. Our service efficiently screens through candidate molecules. |
Get Started Today!
If you are interested in our antibody-antigen docking service, please feel free to contact us. CD ComputaBio looks forward to collaborating with you and helping you achieve your research and development goals in the exciting field of antibody-antigen interactions.
Reference:
- Jin W, Barzilay R, Jaakkola T. Antibody-antigen docking and design via hierarchical equivariant refinement. ArXiv preprint arXiv:2207.06616, 2022.
* For Research Use Only.
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