Protein-Protein Docking Service

The problem of protein-protein docking is one of the focuses of computational biophysics and structural biology research. Generally, the three-dimensional structure of a protein-protein complex is more difficult to experimentally determine than the structure of a single protein. As the number of known protein structures is increasing, especially in structural genomics, it is very important to use appropriate computational techniques to model protein interactions. Docking provides tools for the basic research of protein interactions and provides a structural basis for drug design.

Overall solutions

The following factors will be considered before starting the docking:

1. If there are certain atoms or residues in the receptor or ligand protein, it needs to be completed.
2. Only standard amino acid atoms or residues are allowed in the protein. Atoms in non-standard residues will be treated as zero-charged carbon atoms.
3. Generally, the water molecules should be removed before calculation. However, if water is included, the oxygen atom is treated the same as the unknown atom (i.e., as a zero-charged carbon).
4. If the imported ligand or receptor has multiple conformations (for example, a structure from an NMR experiment), the calculation will use the first conformation. If a configuration other than the first conformation should be used for calculations, please delete all conformations other than the specified conformation.
5. Regardless of whether there are hydrogen atoms in the input molecule, hydrogen atoms will not be used in the calculation.

In order to improve the docking accuracy as much as possible, CD ComputaBio will fully investigate the literature or determine the region or residue of protein binding based on experimental results. These can be submitted to the algorithm as input for calculation.
Finally, CD ComputaBio will select the results after energy optimization to perform protein interaction analysis to find: protein interface residue composition; hydrogen bonding between interface residues; Pi interaction between interface residues and Information such as salt bridges between interface residues.

Our advantages

Our team is composed of multiple bioinformatics experts, cooperates with many pharmaceutical and biotechnology companies from around the world, and has a wealth of knowledge and experience.
Our experts are well-trained, friendly and professional, and will complete your project on time through open communication channels and meet your requirements.
CD ComputaBio has established a professional after-sales service team to provide customers with efficient, fast and practical solutions.

Services items

Project name	Protein-Protein Docking Service
Our services	CD ComputaBio provides customers with professional protein-protein docking service according to their detailed requirements. We can offer you with the following services but not limit to: Data-guided protein-protein docking High-resolution protein-protein docking process
Cycle	Depends on the time you need to simulate and the time required for the system to reach equilibrium.
Note	If there are certain atoms or residues in the receptor or ligand protein, it needs to be completed. If the missing atom or residue is on the surface of the protein, even if the missing part is not in the binding site, the predicted docking complex may be wrong. This is because surfaces with wrong atoms/residues may be incorrectly predicted as binding sites.
Product delivery mode	The simulation results provide you with the raw data and analysis results of molecular dynamics.
Price	Inquiry

CD ComputaBio's protein-protein docking service can significantly reduce the cost of subsequent experiments. protein-protein docking service is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.